(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate

C11H12ClN2O3- — CID 7679282

IUPAC(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
SMILESCc1ccc(Cl)cc1NC(=O)N[C@H](C)C(=O)[O-]
InChIInChI=1S/C11H13ClN2O3/c1-6-3-4-8(12)5-9(6)14-11(17)13-7(2)10(15)16/h3-5,7H,1-2H3,(H,15,16)(H2,13,14,17)/p-1/t7-/m1/s1
InChIKeyPUMPPNOJDYXFLA-SSDOTTSWSA-M
MW255.68 g/mol
LogP0.91
Rot. Bonds3

About (2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate

(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate (PubChem CID 7679282) has the molecular formula C11H12ClN2O3- and a molecular weight of 255.68 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
PubChem CID7679282
Molecular FormulaC11H12ClN2O3-
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
SMILESCc1ccc(Cl)cc1NC(=O)N[C@H](C)C(=O)[O-]
InChIInChI=1S/C11H13ClN2O3/c1-6-3-4-8(12)5-9(6)14-11(17)13-7(2)10(15)16/h3-5,7H,1-2H3,(H,15,16)(H2,13,14,17)/p-1/t7-/m1/s1
InChIKeyPUMPPNOJDYXFLA-SSDOTTSWSA-M
XLogP0.91
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939063
1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181621
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
CID 9431031
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61243704
(2S)-N-(5-chloro-2-methylphenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 8502241
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
CID 43113582
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate?
The IUPAC name of (2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate (CID 7679282) is (2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate.
What is the SMILES notation for (2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate?
The canonical SMILES for (2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate is Cc1ccc(Cl)cc1NC(=O)N[C@H](C)C(=O)[O-].
What is the InChIKey of (2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate?
The InChIKey is PUMPPNOJDYXFLA-SSDOTTSWSA-M. The full InChI is InChI=1S/C11H13ClN2O3/c1-6-3-4-8(12)5-9(6)14-11(17)13-7(2)10(15)16/h3-5,7H,1-2H3,(H,15,16)(H2,13,14,17)/p-1/t7-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate?
(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate has a molecular weight of 255.68 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 7679282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).