2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid

C10H12N2O3S — CID 43445764

IUPAC2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
SMILESCSc1cccc(NC(=O)NCC(=O)O)c1
InChIInChI=1S/C10H12N2O3S/c1-16-8-4-2-3-7(5-8)12-10(15)11-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyLHZLSWCHGMKCHK-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.61
Rot. Bonds4

About 2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid

2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid (PubChem CID 43445764) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
PubChem CID43445764
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
SMILESCSc1cccc(NC(=O)NCC(=O)O)c1
InChIInChI=1S/C10H12N2O3S/c1-16-8-4-2-3-7(5-8)12-10(15)11-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyLHZLSWCHGMKCHK-UHFFFAOYSA-N
XLogP1.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
2-(N-[2-[(3-methylsulfanylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 67858378
2,2-dimethyl-3-[(3-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 113308072
1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 3807651
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087557
2-methyl-5-[(3-methylsulfanylphenyl)carbamoylamino]pentanoic acid
CID 104686088
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
6-(3-methylsulfanylanilino)-6-oxohexanoic acid
CID 43529412

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid (CID 43445764) is 2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid is CSc1cccc(NC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid?
The InChIKey is LHZLSWCHGMKCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-16-8-4-2-3-7(5-8)12-10(15)11-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid?
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid has a molecular weight of 240.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 43445764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).