(2R)-2-(carbamoylamino)-3-sulfanylpropanoate

C4H7N2O3S- — CID 40507900

IUPAC(2R)-2-(carbamoylamino)-3-sulfanylpropanoate
SMILESNC(=O)N[C@@H](CS)C(=O)[O-]
InChIInChI=1S/C4H8N2O3S/c5-4(9)6-2(1-10)3(7)8/h2,10H,1H2,(H,7,8)(H3,5,6,9)/p-1/t2-/m0/s1
InChIKeyAPFSAMXTZRYBKF-REOHCLBHSA-M
MW163.18 g/mol
LogP-2.30
Rot. Bonds3

About (2R)-2-(carbamoylamino)-3-sulfanylpropanoate

(2R)-2-(carbamoylamino)-3-sulfanylpropanoate (PubChem CID 40507900) has the molecular formula C4H7N2O3S- and a molecular weight of 163.18 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-3-sulfanylpropanoate.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-3-sulfanylpropanoate
PubChem CID40507900
Molecular FormulaC4H7N2O3S-
Molecular Weight163.18 g/mol
Exact Mass163.02
IUPAC Name(2R)-2-(carbamoylamino)-3-sulfanylpropanoate
SMILESNC(=O)N[C@@H](CS)C(=O)[O-]
InChIInChI=1S/C4H8N2O3S/c5-4(9)6-2(1-10)3(7)8/h2,10H,1H2,(H,7,8)(H3,5,6,9)/p-1/t2-/m0/s1
InChIKeyAPFSAMXTZRYBKF-REOHCLBHSA-M
XLogP-2.30
TPSA95.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-3-sulfanylpropanoate?
The IUPAC name of (2R)-2-(carbamoylamino)-3-sulfanylpropanoate (CID 40507900) is (2R)-2-(carbamoylamino)-3-sulfanylpropanoate.
What is the SMILES notation for (2R)-2-(carbamoylamino)-3-sulfanylpropanoate?
The canonical SMILES for (2R)-2-(carbamoylamino)-3-sulfanylpropanoate is NC(=O)N[C@@H](CS)C(=O)[O-].
What is the InChIKey of (2R)-2-(carbamoylamino)-3-sulfanylpropanoate?
The InChIKey is APFSAMXTZRYBKF-REOHCLBHSA-M. The full InChI is InChI=1S/C4H8N2O3S/c5-4(9)6-2(1-10)3(7)8/h2,10H,1H2,(H,7,8)(H3,5,6,9)/p-1/t2-/m0/s1.
What are the key properties of (2R)-2-(carbamoylamino)-3-sulfanylpropanoate?
(2R)-2-(carbamoylamino)-3-sulfanylpropanoate has a molecular weight of 163.18 g/mol, XLogP of -2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-3-sulfanylpropanoate is sourced from PubChem (CID 40507900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).