(4R)-4-amino-3-oxo-5-sulfanylpentanoic acid

C5H9NO3S — CID 173235245

IUPAC(4R)-4-amino-3-oxo-5-sulfanylpentanoic acid
SMILESN[C@@H](CS)C(=O)CC(=O)O
InChIInChI=1S/C5H9NO3S/c6-3(2-10)4(7)1-5(8)9/h3,10H,1-2,6H2,(H,8,9)/t3-/m0/s1
InChIKeyABJPBCXWGUAWCG-VKHMYHEASA-N
MW163.20 g/mol
LogP-0.71
Rot. Bonds4

About (4R)-4-amino-3-oxo-5-sulfanylpentanoic acid

(4R)-4-amino-3-oxo-5-sulfanylpentanoic acid (PubChem CID 173235245) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is (4R)-4-amino-3-oxo-5-sulfanylpentanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-3-oxo-5-sulfanylpentanoic acid
PubChem CID173235245
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name(4R)-4-amino-3-oxo-5-sulfanylpentanoic acid
SMILESN[C@@H](CS)C(=O)CC(=O)O
InChIInChI=1S/C5H9NO3S/c6-3(2-10)4(7)1-5(8)9/h3,10H,1-2,6H2,(H,8,9)/t3-/m0/s1
InChIKeyABJPBCXWGUAWCG-VKHMYHEASA-N
XLogP-0.71
TPSA80.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
(2S)-2-amino-1-sulfanylpentan-3-one
CID 71474608
2-amino-1-sulfanylpentan-3-one
CID 59888433
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
CID 87623250
CID 87623250
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
(2S)-2-amino-3-sulfanylpropanoic acid;methane;hydrochloride
CID 87203931
4-amino-3-oxopentanoic acid
CID 134247354

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-3-oxo-5-sulfanylpentanoic acid?
The IUPAC name of (4R)-4-amino-3-oxo-5-sulfanylpentanoic acid (CID 173235245) is (4R)-4-amino-3-oxo-5-sulfanylpentanoic acid.
What is the SMILES notation for (4R)-4-amino-3-oxo-5-sulfanylpentanoic acid?
The canonical SMILES for (4R)-4-amino-3-oxo-5-sulfanylpentanoic acid is N[C@@H](CS)C(=O)CC(=O)O.
What is the InChIKey of (4R)-4-amino-3-oxo-5-sulfanylpentanoic acid?
The InChIKey is ABJPBCXWGUAWCG-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9NO3S/c6-3(2-10)4(7)1-5(8)9/h3,10H,1-2,6H2,(H,8,9)/t3-/m0/s1.
What are the key properties of (4R)-4-amino-3-oxo-5-sulfanylpentanoic acid?
(4R)-4-amino-3-oxo-5-sulfanylpentanoic acid has a molecular weight of 163.20 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-3-oxo-5-sulfanylpentanoic acid is sourced from PubChem (CID 173235245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).