2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid

C10H22N4O7S — CID 22595067

IUPAC2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.NC(CS)C(=O)O.NCC(=O)O
InChIInChI=1S/C5H10N2O3.C3H7NO2S.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;4-2(1-7)3(5)6;3-1-2(4)5/h3H,1-2,6H2,(H2,7,8)(H,9,10);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)
InChIKeyPWCXAMXVGIBFCV-UHFFFAOYSA-N
MW342.37 g/mol
LogP-2.98
Rot. Bonds7

About 2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid

2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid (PubChem CID 22595067) has the molecular formula C10H22N4O7S and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid
PubChem CID22595067
Molecular FormulaC10H22N4O7S
Molecular Weight342.37 g/mol
Exact Mass342.12
IUPAC Name2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.NC(CS)C(=O)O.NCC(=O)O
InChIInChI=1S/C5H10N2O3.C3H7NO2S.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;4-2(1-7)3(5)6;3-1-2(4)5/h3H,1-2,6H2,(H2,7,8)(H,9,10);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)
InChIKeyPWCXAMXVGIBFCV-UHFFFAOYSA-N
XLogP-2.98
TPSA233.05 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.37
LogP ≤ 5-2.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-aminopentanedioic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid
CID 174295124
2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid
CID 174806169
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid
CID 738
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid (CID 22595067) is 2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid is NC(=O)CCC(N)C(=O)O.NC(CS)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid?
The InChIKey is PWCXAMXVGIBFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C3H7NO2S.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;4-2(1-7)3(5)6;3-1-2(4)5/h3H,1-2,6H2,(H2,7,8)(H,9,10);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid?
2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid has a molecular weight of 342.37 g/mol, XLogP of -2.98, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 22595067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).