(4-chlorophenyl)methyl 2-aminopentanoate

C12H16ClNO2 — CID 65126938

IUPAC(4-chlorophenyl)methyl 2-aminopentanoate
SMILESCCCC(N)C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-2-3-11(14)12(15)16-8-9-4-6-10(13)7-5-9/h4-7,11H,2-3,8,14H2,1H3
InChIKeyNZDWWMKJVJQIOZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.51
Rot. Bonds5

About (4-chlorophenyl)methyl 2-aminopentanoate

(4-chlorophenyl)methyl 2-aminopentanoate (PubChem CID 65126938) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-aminopentanoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-aminopentanoate
PubChem CID65126938
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(4-chlorophenyl)methyl 2-aminopentanoate
SMILESCCCC(N)C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-2-3-11(14)12(15)16-8-9-4-6-10(13)7-5-9/h4-7,11H,2-3,8,14H2,1H3
InChIKeyNZDWWMKJVJQIOZ-UHFFFAOYSA-N
XLogP2.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
(4-chlorophenyl)methyl (2S)-2-amino-3-methylpentanoate
CID 65127089
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(3-bromophenyl)methyl 2-aminopentanoate
CID 82824771
ethyl (2S)-2-amino-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate;hydrochloride
CID 70109180
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
(4-chlorophenyl)methyl 3-methylpentanoate
CID 102077326
2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
CID 119271036
1-O-[(4-chlorophenyl)methyl] 3-O-ethyl 2,2-diethylpropanedioate
CID 91712632
(4-chlorophenyl)methyl N,N-dimethylcarbamate
CID 12963457
(4-chlorophenyl)methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 104894908

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-aminopentanoate?
The IUPAC name of (4-chlorophenyl)methyl 2-aminopentanoate (CID 65126938) is (4-chlorophenyl)methyl 2-aminopentanoate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-aminopentanoate?
The canonical SMILES for (4-chlorophenyl)methyl 2-aminopentanoate is CCCC(N)C(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-aminopentanoate?
The InChIKey is NZDWWMKJVJQIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-3-11(14)12(15)16-8-9-4-6-10(13)7-5-9/h4-7,11H,2-3,8,14H2,1H3.
What are the key properties of (4-chlorophenyl)methyl 2-aminopentanoate?
(4-chlorophenyl)methyl 2-aminopentanoate has a molecular weight of 241.72 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-aminopentanoate is sourced from PubChem (CID 65126938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).