2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid

C30H57N9O19S — CID 173056253

IUPAC2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESC[C@@H](O)[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.C5H10N2O3.C4H8N2O3.C4H9NO3.C3H7NO3.C3H7NO2S.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;4-2(1-7)3(5)6;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);3H,1-2,6H2,(H2,7,8)(H,9,10);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t8-;3-;2-;2-,3+;2*2-;/m000100./s1
InChIKeyHXVKEKIOQMTCIZ-UIRHPECDSA-N
MW879.90 g/mol
LogP-7.19
Rot. Bonds17

About 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid

2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid (PubChem CID 173056253) has the molecular formula C30H57N9O19S and a molecular weight of 879.90 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
PubChem CID173056253
Molecular FormulaC30H57N9O19S
Molecular Weight879.90 g/mol
Exact Mass879.35
IUPAC Name2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESC[C@@H](O)[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.C5H10N2O3.C4H8N2O3.C4H9NO3.C3H7NO3.C3H7NO2S.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;4-2(1-7)3(5)6;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);3H,1-2,6H2,(H2,7,8)(H,9,10);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t8-;3-;2-;2-,3+;2*2-;/m000100./s1
InChIKeyHXVKEKIOQMTCIZ-UIRHPECDSA-N
XLogP-7.19
TPSA590.11 Ų
H-Bond Donors20
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500879.90
LogP ≤ 5-7.19
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid with MolForge

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Related Compounds

2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
CID 173307065
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 70284210
2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 77213477
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 173193063
2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid
CID 23126093
bis((2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid
CID 67572518
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)
CID 23525132
bis(2-amino-3-(4-hydroxyphenyl)propanoic acid);2-amino-3-sulfanylpropanoic acid
CID 146277960
tris(2-aminoacetic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-aminopropanoic acid;bis((2R)-2-amino-3-sulfanylpropanoic acid);bis((2S)-2,4-diamino-4-oxobutanoic acid);tris((2S)-pyrrolidine-2-carboxylic acid)
CID 173216805
2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 173349915
2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid
CID 22595067
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid
CID 22500201

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid (CID 173056253) is 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid is C[C@@H](O)[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The InChIKey is HXVKEKIOQMTCIZ-UIRHPECDSA-N. The full InChI is InChI=1S/C9H11NO3.C5H10N2O3.C4H8N2O3.C4H9NO3.C3H7NO3.C3H7NO2S.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;4-2(1-7)3(5)6;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);3H,1-2,6H2,(H2,7,8)(H,9,10);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t8-;3-;2-;2-,3+;2*2-;/m000100./s1.
What are the key properties of 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid has a molecular weight of 879.90 g/mol, XLogP of -7.19, 17 rotatable bonds, 20 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 173056253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).