2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid

C11H25N3O6S — CID 87699670

IUPAC2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C6H13NO2.C3H7NO2S.C2H5NO2/c1-4(2)3-5(7)6(8)9;4-2(1-7)3(5)6;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t5-;2-;/m00./s1
InChIKeyFDTDOQBXSHIVFY-GDOBSTBCSA-N
MW327.40 g/mol
LogP-1.20
Rot. Bonds6

About 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid

2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid (PubChem CID 87699670) has the molecular formula C11H25N3O6S and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
PubChem CID87699670
Molecular FormulaC11H25N3O6S
Molecular Weight327.40 g/mol
Exact Mass327.15
IUPAC Name2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C6H13NO2.C3H7NO2S.C2H5NO2/c1-4(2)3-5(7)6(8)9;4-2(1-7)3(5)6;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t5-;2-;/m00./s1
InChIKeyFDTDOQBXSHIVFY-GDOBSTBCSA-N
XLogP-1.20
TPSA189.96 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.40
LogP ≤ 5-1.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid with MolForge

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Launch Full Analysis

Related Compounds

tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)
CID 23551161
copper;octakis(2-aminoacetic acid);bis((2S)-2-amino-4-methylpentanoic acid);tetrakis((2S)-2-aminopropanoic acid);bis((2R)-2-amino-3-sulfanylpropanoate)
CID 173087541
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
CID 6369563
CID 6369563
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
tetrakis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 23551203
bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 158988010
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid (CID 87699670) is 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid is CC(C)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CS)C(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
The InChIKey is FDTDOQBXSHIVFY-GDOBSTBCSA-N. The full InChI is InChI=1S/C6H13NO2.C3H7NO2S.C2H5NO2/c1-4(2)3-5(7)6(8)9;4-2(1-7)3(5)6;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t5-;2-;/m00./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid has a molecular weight of 327.40 g/mol, XLogP of -1.20, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid is sourced from PubChem (CID 87699670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).