3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid

C13H15NO5 — CID 107688102

IUPAC3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1c(O)cccc1O
InChIInChI=1S/C13H15NO5/c15-9-2-1-3-10(16)11(9)12(17)14-8-5-4-7(6-8)13(18)19/h1-3,7-8,15-16H,4-6H2,(H,14,17)(H,18,19)
InChIKeyVRTXMEPXNHAAPK-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.08
Rot. Bonds3

About 3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid

3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 107688102) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID107688102
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1c(O)cccc1O
InChIInChI=1S/C13H15NO5/c15-9-2-1-3-10(16)11(9)12(17)14-8-5-4-7(6-8)13(18)19/h1-3,7-8,15-16H,4-6H2,(H,14,17)(H,18,19)
InChIKeyVRTXMEPXNHAAPK-UHFFFAOYSA-N
XLogP1.08
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
CID 107690219
N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide
CID 103890634
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 107688102) is 3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1c(O)cccc1O.
What is the InChIKey of 3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VRTXMEPXNHAAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-9-2-1-3-10(16)11(9)12(17)14-8-5-4-7(6-8)13(18)19/h1-3,7-8,15-16H,4-6H2,(H,14,17)(H,18,19).
What are the key properties of 3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107688102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).