(2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

C19H21ClN2O3 — CID 7617147

IUPAC(2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-13(2)17(22-19(24)21-15-9-4-3-5-10-15)18(23)25-12-14-8-6-7-11-16(14)20/h3-11,13,17H,12H2,1-2H3,(H2,21,22,24)/t17-/m1/s1
InChIKeyOMXAUMFCMSKERA-QGZVFWFLSA-N
MW360.84 g/mol
LogP4.23
Rot. Bonds6

About (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

(2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate (PubChem CID 7617147) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
PubChem CID7617147
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-13(2)17(22-19(24)21-15-9-4-3-5-10-15)18(23)25-12-14-8-6-7-11-16(14)20/h3-11,13,17H,12H2,1-2H3,(H2,21,22,24)/t17-/m1/s1
InChIKeyOMXAUMFCMSKERA-QGZVFWFLSA-N
XLogP4.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 46643344
(5-chloro-2-methoxyphenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981667
(2-chloroquinolin-3-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 9459242
(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617134
(4-bromophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617139
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616948
(4-nitrophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617131
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-methyl-2-(phenylcarbamoylamino)butanoate
CID 42899690
(7-methyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 41148930
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
[2-(2-methoxyethylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616904
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981710

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The IUPAC name of (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate (CID 7617147) is (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate.
What is the SMILES notation for (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The canonical SMILES for (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate is CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The InChIKey is OMXAUMFCMSKERA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(2)17(22-19(24)21-15-9-4-3-5-10-15)18(23)25-12-14-8-6-7-11-16(14)20/h3-11,13,17H,12H2,1-2H3,(H2,21,22,24)/t17-/m1/s1.
What are the key properties of (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
(2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate has a molecular weight of 360.84 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate is sourced from PubChem (CID 7617147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).