2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid

C10H19N3O7S — CID 22872019

IUPAC2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid
SMILESNCC(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O5S.C2H5NO2/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15;3-1-2(4)5/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15);1,3H2,(H,4,5)/t4-,5-;/m0./s1
InChIKeyDYXQXHLWRHWESB-FHAQVOQBSA-N
MW325.34 g/mol
LogP-2.29
Rot. Bonds8

About 2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid

2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid (PubChem CID 22872019) has the molecular formula C10H19N3O7S and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid
PubChem CID22872019
Molecular FormulaC10H19N3O7S
Molecular Weight325.34 g/mol
Exact Mass325.09
IUPAC Name2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid
SMILESNCC(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O5S.C2H5NO2/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15;3-1-2(4)5/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15);1,3H2,(H,4,5)/t4-,5-;/m0./s1
InChIKeyDYXQXHLWRHWESB-FHAQVOQBSA-N
XLogP-2.29
TPSA193.04 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.34
LogP ≤ 5-2.29
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-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 174544229
bismuth tris((2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid)
CID 10235501
CID 157487593
CID 157487593
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;λ2-plumbane
CID 173038882
CID 158170006
CID 158170006
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;chromium(3+);trichloride
CID 174957158
2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;ethane
CID 145181639
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;butanedioic acid
CID 172752058
(2S)-2-[(4-amino-4-carboxybutanoyl)amino]pentanedioic acid
CID 87289628
(2R)-2-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 71728417
2-amino-5-[[1-[amino(carboxymethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 87838703

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid (CID 22872019) is 2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid is NCC(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid?
The InChIKey is DYXQXHLWRHWESB-FHAQVOQBSA-N. The full InChI is InChI=1S/C8H14N2O5S.C2H5NO2/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15;3-1-2(4)5/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15);1,3H2,(H,4,5)/t4-,5-;/m0./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid?
2-aminoacetic acid;(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid has a molecular weight of 325.34 g/mol, XLogP of -2.29, 8 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-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 22872019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).