1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid

C15H19NO4 — CID 69223765

IUPAC1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-13(18)15(8-4-5-9-15)11-16-14(19)20-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,19)(H,17,18)
InChIKeyPJZVXXYXWXMRSS-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.56
Rot. Bonds5

About 1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid

1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid (PubChem CID 69223765) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
PubChem CID69223765
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-13(18)15(8-4-5-9-15)11-16-14(19)20-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,19)(H,17,18)
InChIKeyPJZVXXYXWXMRSS-UHFFFAOYSA-N
XLogP2.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
3-(phenylmethoxycarbonylaminomethyl)oxane-3-carboxylic acid
CID 165478972
benzyl N-[[1-(2-chloroacetyl)cyclohexyl]methyl]carbamate
CID 104701740
1-(phenylmethoxycarbonylaminomethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 165478968
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
1-(phenylmethoxycarbonylaminomethyl)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 165470610
3,3-diethyl-1-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylic acid
CID 165485509
1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 71416986
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
CID 171157569

Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid (CID 69223765) is 1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCC1)OCc1ccccc1.
What is the InChIKey of 1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid?
The InChIKey is PJZVXXYXWXMRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13(18)15(8-4-5-9-15)11-16-14(19)20-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,19)(H,17,18).
What are the key properties of 1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid?
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 69223765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).