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

C10H12ClNO2 — CID 827422

IUPACmethyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m1/s1
InChIKeyFBHPVOLRIXZZMD-SECBINFHSA-N
MW213.66 g/mol
LogP1.38
Rot. Bonds3

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

methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate (PubChem CID 827422) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
PubChem CID827422
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namemethyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m1/s1
InChIKeyFBHPVOLRIXZZMD-SECBINFHSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
CID 57045701
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
tert-butyl (2S)-2-amino-3-(4-chlorophenyl)propanoate
CID 54165475
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate
CID 89299505
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
methyl 3-(4-chlorophenyl)-2-(propan-2-ylamino)propanoate
CID 58866289
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate (CID 827422) is methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate is COC(=O)[C@H](N)Cc1ccc(Cl)cc1.
What is the InChIKey of methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate?
The InChIKey is FBHPVOLRIXZZMD-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate?
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate has a molecular weight of 213.66 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 827422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).