1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

C15H19NO4 — CID 115432866

IUPAC1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccccc1O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H19NO4/c17-12-6-2-1-5-11(12)9-13(18)16-10-15(14(19)20)7-3-4-8-15/h1-2,5-6,17H,3-4,7-10H2,(H,16,18)(H,19,20)
InChIKeyHSLFQJHAZNSCDE-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds5

About 1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115432866) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115432866
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccccc1O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H19NO4/c17-12-6-2-1-5-11(12)9-13(18)16-10-15(14(19)20)7-3-4-8-15/h1-2,5-6,17H,3-4,7-10H2,(H,16,18)(H,19,20)
InChIKeyHSLFQJHAZNSCDE-UHFFFAOYSA-N
XLogP1.70
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155
1-[[[2-(2-chlorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362454
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
2-(2-hydroxyphenyl)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103738243
1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432966
2-(2-hydroxyphenyl)-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722422
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361995
1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433600
1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309066
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449344

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115432866) is 1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is O=C(Cc1ccccc1O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HSLFQJHAZNSCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-12-6-2-1-5-11(12)9-13(18)16-10-15(14(19)20)7-3-4-8-15/h1-2,5-6,17H,3-4,7-10H2,(H,16,18)(H,19,20).
What are the key properties of 1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115432866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).