(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid

C51H101N15O28 — CID 173312968

IUPAC(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H14N4O2.C6H9N3O2.2C6H13NO2.3C5H9NO4.C5H11NO2.C4H7NO4.C3H7NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(6(10)11)1-4-2-8-3-9-4;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;3*6-3(5(9)10)1-2-4(7)8;1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11);2*4-5H,3,7H2,1-2H3,(H,8,9);3*3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)/t4-;2*5-;4-,5-;3*3-;4-;2*2-/m0000000000/s1
InChIKeyCNCXMJVAYWNOOU-MADUHJRNSA-N
MW1372.45 g/mol
LogP-5.16
Rot. Bonds32

About (2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid

(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid (PubChem CID 173312968) has the molecular formula C51H101N15O28 and a molecular weight of 1372.45 g/mol. Its IUPAC name is (2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid.

Molecular Properties

Compound Name(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid
PubChem CID173312968
Molecular FormulaC51H101N15O28
Molecular Weight1372.45 g/mol
Exact Mass1371.69
IUPAC Name(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H14N4O2.C6H9N3O2.2C6H13NO2.3C5H9NO4.C5H11NO2.C4H7NO4.C3H7NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(6(10)11)1-4-2-8-3-9-4;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;3*6-3(5(9)10)1-2-4(7)8;1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11);2*4-5H,3,7H2,1-2H3,(H,8,9);3*3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)/t4-;2*5-;4-,5-;3*3-;4-;2*2-/m0000000000/s1
InChIKeyCNCXMJVAYWNOOU-MADUHJRNSA-N
XLogP-5.16
TPSA875.48 Ų
H-Bond Donors27
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.45
LogP ≤ 5-5.16
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid
CID 174558746
(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid
CID 173280969
tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 173198136
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid
CID 174366259
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 160908461
2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxybutanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-amino-3-methylbutanoic acid;tris((2S)-2-amino-4-methylpentanoic acid);bis((2S,3S)-2-amino-3-methylpentanoic acid);tetrakis((2S)-2-aminopentanedioic acid);(2S)-2-amino-3-phenylpropanoic acid;bis((2R)-2-amino-3-sulfanylpropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)
CID 173344267
(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 158144043
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18294666
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid
CID 18493238
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174778549
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanedioic acid
CID 18496648
2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid
CID 18244656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid?
The IUPAC name of (2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid (CID 173312968) is (2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid.
What is the SMILES notation for (2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid?
The canonical SMILES for (2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid is CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid?
The InChIKey is CNCXMJVAYWNOOU-MADUHJRNSA-N. The full InChI is InChI=1S/C6H14N4O2.C6H9N3O2.2C6H13NO2.3C5H9NO4.C5H11NO2.C4H7NO4.C3H7NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(6(10)11)1-4-2-8-3-9-4;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;3*6-3(5(9)10)1-2-4(7)8;1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11);2*4-5H,3,7H2,1-2H3,(H,8,9);3*3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)/t4-;2*5-;4-,5-;3*3-;4-;2*2-/m0000000000/s1.
What are the key properties of (2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid?
(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid has a molecular weight of 1372.45 g/mol, XLogP of -5.16, 32 rotatable bonds, 27 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;tris((2S)-2-aminopentanedioic acid);(2S)-2-aminopropanoic acid is sourced from PubChem (CID 173312968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).