methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate

C10H11Cl2NO2 — CID 89299505

IUPACmethyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NCl
InChIInChI=1S/C10H11Cl2NO2/c1-15-10(14)9(13-12)6-7-2-4-8(11)5-3-7/h2-5,9,13H,6H2,1H3/t9-/m1/s1
InChIKeyRPVIQNAVTJDODK-SECBINFHSA-N
MW248.11 g/mol
LogP2.17
Rot. Bonds4

About methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate

methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate (PubChem CID 89299505) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate
PubChem CID89299505
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Namemethyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NCl
InChIInChI=1S/C10H11Cl2NO2/c1-15-10(14)9(13-12)6-7-2-4-8(11)5-3-7/h2-5,9,13H,6H2,1H3/t9-/m1/s1
InChIKeyRPVIQNAVTJDODK-SECBINFHSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-chlorophenyl)-2-(propan-2-ylamino)propanoate
CID 58866289
methyl (2S)-2-(chloroamino)-3-(4-iodophenyl)propanoate
CID 91079167
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
methyl (2R)-3-(4-chlorophenyl)-2-isocyanopropanoate
CID 97291393
3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide
CID 110618089
methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
CID 57045701
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
methyl 4-(4-chlorophenyl)-3-methyl-2-oxobutanoate
CID 123596283
methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate
CID 170904406
2-(tert-butylamino)-3-(4-chlorophenyl)propanoic acid
CID 59385300

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate (CID 89299505) is methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate is COC(=O)[C@@H](Cc1ccc(Cl)cc1)NCl.
What is the InChIKey of methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate?
The InChIKey is RPVIQNAVTJDODK-SECBINFHSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-15-10(14)9(13-12)6-7-2-4-8(11)5-3-7/h2-5,9,13H,6H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate?
methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate has a molecular weight of 248.11 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 89299505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).