2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid

C25H54N8O15 — CID 173198140

IUPAC2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESCC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C6H14N2O2.C5H10N2O3.C5H11NO2.C4H7NO4.C3H7NO2.C2H5NO2/c7-4-2-1-3-5(8)6(9)10;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;3-1-2(4)5/h5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H2,7,8)(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);1,3H2,(H,4,5)/t5-;3-;4-;2*2-;/m00000./s1
InChIKeyOJLCTRXDLVRFEL-SQHCVACRSA-N
MW706.75 g/mol
LogP-4.43
Rot. Bonds16

About 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid

2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid (PubChem CID 173198140) has the molecular formula C25H54N8O15 and a molecular weight of 706.75 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
PubChem CID173198140
Molecular FormulaC25H54N8O15
Molecular Weight706.75 g/mol
Exact Mass706.37
IUPAC Name2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESCC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C6H14N2O2.C5H10N2O3.C5H11NO2.C4H7NO4.C3H7NO2.C2H5NO2/c7-4-2-1-3-5(8)6(9)10;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;3-1-2(4)5/h5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H2,7,8)(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);1,3H2,(H,4,5)/t5-;3-;4-;2*2-;/m00000./s1
InChIKeyOJLCTRXDLVRFEL-SQHCVACRSA-N
XLogP-4.43
TPSA486.33 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500706.75
LogP ≤ 5-4.43
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid
CID 134498340
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
(2R)-2-aminobutanedioic acid;(2R)-2,6-diaminohexanoic acid
CID 133109130
2-aminobutanedioic acid;bis(2,6-diaminohexanoic acid)
CID 138592337
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid
CID 22856238
(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-aminopropanoic acid
CID 173152121
2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid
CID 19775744
bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid
CID 173155231
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
CID 87110947
butanediamide;2,6-diaminohexanoic acid
CID 87941858
2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid
CID 175609716
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid
CID 173126229

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid (CID 173198140) is 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid is CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The InChIKey is OJLCTRXDLVRFEL-SQHCVACRSA-N. The full InChI is InChI=1S/C6H14N2O2.C5H10N2O3.C5H11NO2.C4H7NO4.C3H7NO2.C2H5NO2/c7-4-2-1-3-5(8)6(9)10;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;3-1-2(4)5/h5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H2,7,8)(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);1,3H2,(H,4,5)/t5-;3-;4-;2*2-;/m00000./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid has a molecular weight of 706.75 g/mol, XLogP of -4.43, 16 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 173198140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).