cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid

C18H18N2O4 — CID 120677236

IUPACcis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C18H18N2O4/c21-17(20-14-6-3-13(10-14)18(22)23)12-4-7-15(8-5-12)24-16-2-1-9-19-11-16/h1-2,4-5,7-9,11,13-14H,3,6,10H2,(H,20,21)(H,22,23)/t13-,14+/m1/s1
InChIKeyLKYWQJPQFZGEEC-KGLIPLIRSA-N
MW326.35 g/mol
LogP2.86
Rot. Bonds5

About cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120677236) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120677236
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namecis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C18H18N2O4/c21-17(20-14-6-3-13(10-14)18(22)23)12-4-7-15(8-5-12)24-16-2-1-9-19-11-16/h1-2,4-5,7-9,11,13-14H,3,6,10H2,(H,20,21)(H,22,23)/t13-,14+/m1/s1
InChIKeyLKYWQJPQFZGEEC-KGLIPLIRSA-N
XLogP2.86
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677474
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681
cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120679122
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521
4-pyridin-3-yloxybenzoic acid
CID 22261667
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide
CID 96570027
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120677236) is cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LKYWQJPQFZGEEC-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(20-14-6-3-13(10-14)18(22)23)12-4-7-15(8-5-12)24-16-2-1-9-19-11-16/h1-2,4-5,7-9,11,13-14H,3,6,10H2,(H,20,21)(H,22,23)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).