1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid

C14H19NO3 — CID 71416986

IUPAC1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNOCc2ccccc2)CCCC1
InChIInChI=1S/C14H19NO3/c16-13(17)14(8-4-5-9-14)11-15-18-10-12-6-2-1-3-7-12/h1-3,6-7,15H,4-5,8-11H2,(H,16,17)
InChIKeyMLZMBAYXAZFCEK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.35
Rot. Bonds6

About 1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid

1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 71416986) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID71416986
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNOCc2ccccc2)CCCC1
InChIInChI=1S/C14H19NO3/c16-13(17)14(8-4-5-9-14)11-15-18-10-12-6-2-1-3-7-12/h1-3,6-7,15H,4-5,8-11H2,(H,16,17)
InChIKeyMLZMBAYXAZFCEK-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
1-amino-N-phenylmethoxycyclopentane-1-carboxamide
CID 21491908
3-(phenylmethoxycarbonylaminomethyl)oxane-3-carboxylic acid
CID 165478972
1-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]cycloheptane-1-carboxylic acid
CID 113223385
1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445364
1-[(methoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 23530558
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide
CID 115453414
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
CID 80711828
1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 139515845
benzyl N-[[1-(2-chloroacetyl)cyclohexyl]methyl]carbamate
CID 104701740

Frequently Asked Questions

What is the IUPAC name of 1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid (CID 71416986) is 1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CNOCc2ccccc2)CCCC1.
What is the InChIKey of 1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is MLZMBAYXAZFCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(17)14(8-4-5-9-14)11-15-18-10-12-6-2-1-3-7-12/h1-3,6-7,15H,4-5,8-11H2,(H,16,17).
What are the key properties of 1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid?
1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 71416986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).