methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate

C12H14BrClN2O4 — CID 58946757

IUPACmethyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)Nc1cc(Cl)c(OC)cc1Br
InChIInChI=1S/C12H14BrClN2O4/c1-6(11(17)20-3)15-12(18)16-9-5-8(14)10(19-2)4-7(9)13/h4-6H,1-3H3,(H2,15,16,18)/t6-/m1/s1
InChIKeyOOCMHRQKNWUBAZ-ZCFIWIBFSA-N
MW365.61 g/mol
LogP2.79
Rot. Bonds4

About methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate

methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate (PubChem CID 58946757) has the molecular formula C12H14BrClN2O4 and a molecular weight of 365.61 g/mol. Its IUPAC name is methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate
PubChem CID58946757
Molecular FormulaC12H14BrClN2O4
Molecular Weight365.61 g/mol
Exact Mass363.98
IUPAC Namemethyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)Nc1cc(Cl)c(OC)cc1Br
InChIInChI=1S/C12H14BrClN2O4/c1-6(11(17)20-3)15-12(18)16-9-5-8(14)10(19-2)4-7(9)13/h4-6H,1-3H3,(H2,15,16,18)/t6-/m1/s1
InChIKeyOOCMHRQKNWUBAZ-ZCFIWIBFSA-N
XLogP2.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate 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

2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 103416279
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
(2S)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]propanoic acid
CID 104724709
1-(2-bromo-4,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60569611
ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate
CID 3289741
2-(2-bromo-5-chloro-4-methoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168609705
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropanoate
CID 43538463
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 99833156
methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
CID 5151052

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate (CID 58946757) is methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate is COC(=O)[C@@H](C)NC(=O)Nc1cc(Cl)c(OC)cc1Br.
What is the InChIKey of methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate?
The InChIKey is OOCMHRQKNWUBAZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H14BrClN2O4/c1-6(11(17)20-3)15-12(18)16-9-5-8(14)10(19-2)4-7(9)13/h4-6H,1-3H3,(H2,15,16,18)/t6-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate?
methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate has a molecular weight of 365.61 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-bromo-5-chloro-4-methoxyphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 58946757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).