cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid

C13H14FNO4 — CID 114173210

IUPACcis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(O)cc1F
InChIInChI=1S/C13H14FNO4/c14-11-6-9(16)3-4-10(11)12(17)15-8-2-1-7(5-8)13(18)19/h3-4,6-8,16H,1-2,5H2,(H,15,17)(H,18,19)/t7-,8+/m1/s1
InChIKeyUIDSWKLUGVVYLE-SFYZADRCSA-N
MW267.26 g/mol
LogP1.51
Rot. Bonds3

About cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114173210) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114173210
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Namecis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(O)cc1F
InChIInChI=1S/C13H14FNO4/c14-11-6-9(16)3-4-10(11)12(17)15-8-2-1-7(5-8)13(18)19/h3-4,6-8,16H,1-2,5H2,(H,15,17)(H,18,19)/t7-,8+/m1/s1
InChIKeyUIDSWKLUGVVYLE-SFYZADRCSA-N
XLogP1.51
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
N-[4-(ethylamino)cyclohexyl]-2-fluoro-4-hydroxybenzamide
CID 107675625
cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677489
3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 107674940
4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230033
N-(2,3-dihydro-1H-inden-2-yl)-2-fluoro-4-hydroxybenzamide
CID 104694744
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
2-fluoro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 104929945
cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120679011
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013540

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 114173210) is cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(O)cc1F.
What is the InChIKey of cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UIDSWKLUGVVYLE-SFYZADRCSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-11-6-9(16)3-4-10(11)12(17)15-8-2-1-7(5-8)13(18)19/h3-4,6-8,16H,1-2,5H2,(H,15,17)(H,18,19)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).