2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid

C6H11N3O4S — CID 24702802

IUPAC2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
SMILESNC(=O)NC(=O)CSCC(N)C(=O)O
InChIInChI=1S/C6H11N3O4S/c7-3(5(11)12)1-14-2-4(10)9-6(8)13/h3H,1-2,7H2,(H,11,12)(H3,8,9,10,13)
InChIKeyAVCNWUATWXKVTR-UHFFFAOYSA-N
MW221.24 g/mol
LogP-1.67
Rot. Bonds5

About 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid

2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 24702802) has the molecular formula C6H11N3O4S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
PubChem CID24702802
Molecular FormulaC6H11N3O4S
Molecular Weight221.24 g/mol
Exact Mass221.05
IUPAC Name2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
SMILESNC(=O)NC(=O)CSCC(N)C(=O)O
InChIInChI=1S/C6H11N3O4S/c7-3(5(11)12)1-14-2-4(10)9-6(8)13/h3H,1-2,7H2,(H,11,12)(H3,8,9,10,13)
InChIKeyAVCNWUATWXKVTR-UHFFFAOYSA-N
XLogP-1.67
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid (CID 24702802) is 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid is NC(=O)NC(=O)CSCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is AVCNWUATWXKVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4S/c7-3(5(11)12)1-14-2-4(10)9-6(8)13/h3H,1-2,7H2,(H,11,12)(H3,8,9,10,13).
What are the key properties of 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 221.24 g/mol, XLogP of -1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 24702802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).