propan-2-yl 2-amino-2-(3-chlorophenyl)acetate

C11H14ClNO2 — CID 141482559

IUPACpropan-2-yl 2-amino-2-(3-chlorophenyl)acetate
SMILESCC(C)OC(=O)C(N)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-7(2)15-11(14)10(13)8-4-3-5-9(12)6-8/h3-7,10H,13H2,1-2H3
InChIKeyNQOCLXGYIMIMAF-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.29
Rot. Bonds3

About propan-2-yl 2-amino-2-(3-chlorophenyl)acetate

propan-2-yl 2-amino-2-(3-chlorophenyl)acetate (PubChem CID 141482559) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is propan-2-yl 2-amino-2-(3-chlorophenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-2-(3-chlorophenyl)acetate
PubChem CID141482559
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namepropan-2-yl 2-amino-2-(3-chlorophenyl)acetate
SMILESCC(C)OC(=O)C(N)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-7(2)15-11(14)10(13)8-4-3-5-9(12)6-8/h3-7,10H,13H2,1-2H3
InChIKeyNQOCLXGYIMIMAF-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
1-(3-chlorophenyl)ethyl carbamate
CID 121415275
2-[amino-(3-chlorophenyl)methyl]prop-2-enoic acid
CID 72672685
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
ethyl (2S)-2-(3-chlorophenyl)-2-cyanoacetate
CID 86312949
ethyl (2R)-2-(3-chlorophenyl)-2-cyanoacetate
CID 86309605
tert-butyl N-[1-amino-1-(3-chlorophenyl)propan-2-ylidene]carbamate
CID 123574369
(2S)-2-(3-chlorophenyl)-3-oxobutanenitrile
CID 41137898
benzhydryl (2R)-2-(3-chlorophenyl)butanoate
CID 25198719

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-2-(3-chlorophenyl)acetate?
The IUPAC name of propan-2-yl 2-amino-2-(3-chlorophenyl)acetate (CID 141482559) is propan-2-yl 2-amino-2-(3-chlorophenyl)acetate.
What is the SMILES notation for propan-2-yl 2-amino-2-(3-chlorophenyl)acetate?
The canonical SMILES for propan-2-yl 2-amino-2-(3-chlorophenyl)acetate is CC(C)OC(=O)C(N)c1cccc(Cl)c1.
What is the InChIKey of propan-2-yl 2-amino-2-(3-chlorophenyl)acetate?
The InChIKey is NQOCLXGYIMIMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(2)15-11(14)10(13)8-4-3-5-9(12)6-8/h3-7,10H,13H2,1-2H3.
What are the key properties of propan-2-yl 2-amino-2-(3-chlorophenyl)acetate?
propan-2-yl 2-amino-2-(3-chlorophenyl)acetate has a molecular weight of 227.69 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-2-(3-chlorophenyl)acetate is sourced from PubChem (CID 141482559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).