(2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate

C13H16ClNO2 — CID 61278448

IUPAC(2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate
SMILESNC1(C(=O)OCc2ccccc2Cl)CCCC1
InChIInChI=1S/C13H16ClNO2/c14-11-6-2-1-5-10(11)9-17-12(16)13(15)7-3-4-8-13/h1-2,5-6H,3-4,7-9,15H2
InChIKeyBDQDTFIIMNAGFI-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.65
Rot. Bonds3

About (2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate

(2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate (PubChem CID 61278448) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate
PubChem CID61278448
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate
SMILESNC1(C(=O)OCc2ccccc2Cl)CCCC1
InChIInChI=1S/C13H16ClNO2/c14-11-6-2-1-5-10(11)9-17-12(16)13(15)7-3-4-8-13/h1-2,5-6H,3-4,7-9,15H2
InChIKeyBDQDTFIIMNAGFI-UHFFFAOYSA-N
XLogP2.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate
CID 63932845
(3-chlorophenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 65127010
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine
CID 64549560
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
[2,3,4-tris[[2-(2-chlorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-chlorophenyl)acetate
CID 141296631
2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid
CID 103272478
phenyl 1-aminocyclopentane-1-carboxylate
CID 45089706
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
CID 107837533
(2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate
CID 62697560
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
(2-chlorophenyl)methyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774129

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate (CID 61278448) is (2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate is NC1(C(=O)OCc2ccccc2Cl)CCCC1.
What is the InChIKey of (2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate?
The InChIKey is BDQDTFIIMNAGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-6-2-1-5-10(11)9-17-12(16)13(15)7-3-4-8-13/h1-2,5-6H,3-4,7-9,15H2.
What are the key properties of (2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate?
(2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate has a molecular weight of 253.73 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 61278448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).