2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid

C25H50N6O11S2 — CID 173000941

IUPAC2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid
SMILESCC(C)C[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)OC(=O)[C@@H]1CCCN1.NCC(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C10H20N2O4.C10H18N2O3S.C3H7NO2S.C2H5NO2/c1-5(2)4-7(11)10(15)16-6(3)8(12)9(13)14;1-16-6-4-7(11)9(13)15-10(14)8-3-2-5-12-8;4-2(1-7)3(5)6;3-1-2(4)5/h5-8H,4,11-12H2,1-3H3,(H,13,14);7-8,12H,2-6,11H2,1H3;2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t6-,7+,8+;7-,8-;2-;/m100./s1
InChIKeyASKCDLCIBXBZJN-PGUBYBHCSA-N
MW674.84 g/mol
LogP-2.05
Rot. Bonds14

About 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid

2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid (PubChem CID 173000941) has the molecular formula C25H50N6O11S2 and a molecular weight of 674.84 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid
PubChem CID173000941
Molecular FormulaC25H50N6O11S2
Molecular Weight674.84 g/mol
Exact Mass674.30
IUPAC Name2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid
SMILESCC(C)C[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)OC(=O)[C@@H]1CCCN1.NCC(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C10H20N2O4.C10H18N2O3S.C3H7NO2S.C2H5NO2/c1-5(2)4-7(11)10(15)16-6(3)8(12)9(13)14;1-16-6-4-7(11)9(13)15-10(14)8-3-2-5-12-8;4-2(1-7)3(5)6;3-1-2(4)5/h5-8H,4,11-12H2,1-3H3,(H,13,14);7-8,12H,2-6,11H2,1H3;2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t6-,7+,8+;7-,8-;2-;/m100./s1
InChIKeyASKCDLCIBXBZJN-PGUBYBHCSA-N
XLogP-2.05
TPSA323.70 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500674.84
LogP ≤ 5-2.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid with MolForge

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Related Compounds

[(2S)-2-amino-3-[4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxyphenyl]propanoyl] (2S)-pyrrolidine-2-carboxylate;(2S,3R)-2-amino-3-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;[(2S,3R)-2-amino-3-hydroxybutanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 173293164
2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23531806
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid
CID 141203055
bis(2-amino-4-methylpentanoic acid);2-amino-4-methylsulfanylbutanoic acid;2-aminopentanedioic acid;2,6-diaminohexanoic acid;2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 175001013
(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66790467
[(2R,3S)-3-amino-4-(2-aminoacetyl)oxy-4-oxobutan-2-yl] (2S)-pyrrolidine-2-carboxylate
CID 122511081
2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87699670
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 70209240
bis(2-amino-4-methylsulfanylbutanoic acid);2-amino-3-sulfanylpropanoic acid
CID 166790626
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc
CID 173395299
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid?
The IUPAC name of 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid (CID 173000941) is 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid is CC(C)C[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)OC(=O)[C@@H]1CCCN1.NCC(=O)O.N[C@@H](CS)C(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid?
The InChIKey is ASKCDLCIBXBZJN-PGUBYBHCSA-N. The full InChI is InChI=1S/C10H20N2O4.C10H18N2O3S.C3H7NO2S.C2H5NO2/c1-5(2)4-7(11)10(15)16-6(3)8(12)9(13)14;1-16-6-4-7(11)9(13)15-10(14)8-3-2-5-12-8;4-2(1-7)3(5)6;3-1-2(4)5/h5-8H,4,11-12H2,1-3H3,(H,13,14);7-8,12H,2-6,11H2,1H3;2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t6-,7+,8+;7-,8-;2-;/m100./s1.
What are the key properties of 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid?
2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid has a molecular weight of 674.84 g/mol, XLogP of -2.05, 14 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid;[(2S)-2-amino-4-methylsulfanylbutanoyl] (2S)-pyrrolidine-2-carboxylate;(2R)-2-amino-3-sulfanylpropanoic acid is sourced from PubChem (CID 173000941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).