2-(4-chlorophenyl)propan-2-yl 2-aminoacetate

C11H14ClNO2 — CID 175017464

IUPAC2-(4-chlorophenyl)propan-2-yl 2-aminoacetate
SMILESCC(C)(OC(=O)CN)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-11(2,15-10(14)7-13)8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3
InChIKeyIRWKWLYZICDCFL-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.08
Rot. Bonds3

About 2-(4-chlorophenyl)propan-2-yl 2-aminoacetate

2-(4-chlorophenyl)propan-2-yl 2-aminoacetate (PubChem CID 175017464) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)propan-2-yl 2-aminoacetate.

Molecular Properties

Compound Name2-(4-chlorophenyl)propan-2-yl 2-aminoacetate
PubChem CID175017464
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(4-chlorophenyl)propan-2-yl 2-aminoacetate
SMILESCC(C)(OC(=O)CN)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-11(2,15-10(14)7-13)8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3
InChIKeyIRWKWLYZICDCFL-UHFFFAOYSA-N
XLogP2.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)propan-2-yl acetate
CID 23447101
2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate
CID 160872779
bis[2-(4-chlorophenyl)propan-2-yl] propanedioate;2-(4-chlorophenyl)propan-2-ol;propanedioic acid
CID 157385921
2-phenylpropan-2-yl 3-oxobutanoate
CID 13319262
bis[2-(6-chloro-9H-carbazol-2-yl)propan-2-yl] propanedioate
CID 23337481
ethyl 2-(4-chlorophenyl)-2,3-dimethylbutanoate
CID 117047943
6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one
CID 59670752
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
methyl 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142659
methyl (2S)-2-bromo-2-(4-chlorophenyl)propanoate
CID 97034672
potassium;(4-chlorophenyl) 2-aminoacetate;hydride
CID 174962254

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)propan-2-yl 2-aminoacetate?
The IUPAC name of 2-(4-chlorophenyl)propan-2-yl 2-aminoacetate (CID 175017464) is 2-(4-chlorophenyl)propan-2-yl 2-aminoacetate.
What is the SMILES notation for 2-(4-chlorophenyl)propan-2-yl 2-aminoacetate?
The canonical SMILES for 2-(4-chlorophenyl)propan-2-yl 2-aminoacetate is CC(C)(OC(=O)CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)propan-2-yl 2-aminoacetate?
The InChIKey is IRWKWLYZICDCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(2,15-10(14)7-13)8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)propan-2-yl 2-aminoacetate?
2-(4-chlorophenyl)propan-2-yl 2-aminoacetate has a molecular weight of 227.69 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)propan-2-yl 2-aminoacetate is sourced from PubChem (CID 175017464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).