methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate

C11H13ClN2O3 — CID 940051

IUPACmethyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O3/c1-7(10(15)17-2)13-11(16)14-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H2,13,14,16)/t7-/m0/s1
InChIKeyYPOMQYYCUOVMLS-ZETCQYMHSA-N
MW256.69 g/mol
LogP2.02
Rot. Bonds3

About methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate

methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate (PubChem CID 940051) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
PubChem CID940051
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Namemethyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O3/c1-7(10(15)17-2)13-11(16)14-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H2,13,14,16)/t7-/m0/s1
InChIKeyYPOMQYYCUOVMLS-ZETCQYMHSA-N
XLogP2.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea
CID 61124006
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
1-(2-chlorophenyl)-3-(4-hydroxypentan-2-yl)urea
CID 113376614
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028
(2R,3S)-2-[(2-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 51554188
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoate
CID 3702816
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108870935
1-(2-chlorophenyl)-3-[(1S)-2,2,2-trichloro-1-hydroxyethyl]urea
CID 163171091

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate (CID 940051) is methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate is COC(=O)[C@H](C)NC(=O)Nc1ccccc1Cl.
What is the InChIKey of methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate?
The InChIKey is YPOMQYYCUOVMLS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7(10(15)17-2)13-11(16)14-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H2,13,14,16)/t7-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate?
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate has a molecular weight of 256.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate is sourced from PubChem (CID 940051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).