(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate

C14H18ClNO2 — CID 65127171

IUPAC(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate
SMILESNC1(CC(=O)OCc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C14H18ClNO2/c15-12-5-3-4-11(8-12)10-18-13(17)9-14(16)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,16H2
InChIKeyVYWYKYQSNUNCNR-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.04
Rot. Bonds4

About (3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate

(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate (PubChem CID 65127171) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate
PubChem CID65127171
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate
SMILESNC1(CC(=O)OCc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C14H18ClNO2/c15-12-5-3-4-11(8-12)10-18-13(17)9-14(16)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,16H2
InChIKeyVYWYKYQSNUNCNR-UHFFFAOYSA-N
XLogP3.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 65127010
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 64684380
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 64684681
(4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate
CID 82823923
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
CID 64701200
(3-chlorophenyl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate
CID 7846846
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79854440
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate
CID 65127484

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate?
The IUPAC name of (3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate (CID 65127171) is (3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate?
The canonical SMILES for (3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate is NC1(CC(=O)OCc2cccc(Cl)c2)CCCC1.
What is the InChIKey of (3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate?
The InChIKey is VYWYKYQSNUNCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-5-3-4-11(8-12)10-18-13(17)9-14(16)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,16H2.
What are the key properties of (3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate?
(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate has a molecular weight of 267.76 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate is sourced from PubChem (CID 65127171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).