1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid

C14H19NO3 — CID 69222417

IUPAC1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid
SMILESNC(OCc1ccccc1)C1(C(=O)O)CCCC1
InChIInChI=1S/C14H19NO3/c15-12(14(13(16)17)8-4-5-9-14)18-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,17)
InChIKeyGWKOVRQKRLSPPL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds5

About 1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid

1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid (PubChem CID 69222417) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid
PubChem CID69222417
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid
SMILESNC(OCc1ccccc1)C1(C(=O)O)CCCC1
InChIInChI=1S/C14H19NO3/c15-12(14(13(16)17)8-4-5-9-14)18-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,17)
InChIKeyGWKOVRQKRLSPPL-UHFFFAOYSA-N
XLogP2.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
(2R)-2-amino-2-phenylmethoxyacetamide
CID 129192787
1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
CID 69315148
benzyl (2S)-2-aminopropanoate
CID 726858
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl 2-[1-(dihydroxymethyl)cyclopentyl]acetate
CID 123352150
1-amino-2-phenylmethoxycarbonylcyclodecane-1-carboxylic acid
CID 170988150
1-amino-N-phenylmethoxycyclopentane-1-carboxamide
CID 21491908
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl (2R)-2-methyl-3-(1-methylcyclohexyl)propanoate
CID 122394033
benzyl 1-(oxiran-2-yl)cyclohexane-1-carboxylate
CID 10706467

Frequently Asked Questions

What is the IUPAC name of 1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid (CID 69222417) is 1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid is NC(OCc1ccccc1)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GWKOVRQKRLSPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-12(14(13(16)17)8-4-5-9-14)18-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,17).
What are the key properties of 1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid?
1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 69222417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).