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

C18H18N2O4 — CID 120677474

IUPACcis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C18H18N2O4/c21-17(20-13-7-6-12(10-13)18(22)23)16-11-15(8-9-19-16)24-14-4-2-1-3-5-14/h1-5,8-9,11-13H,6-7,10H2,(H,20,21)(H,22,23)/t12-,13+/m1/s1
InChIKeyVXPWVDWWIHQHEY-OLZOCXBDSA-N
MW326.35 g/mol
LogP2.86
Rot. Bonds5

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

cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120677474) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120677474
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namecis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C18H18N2O4/c21-17(20-13-7-6-12(10-13)18(22)23)16-11-15(8-9-19-16)24-14-4-2-1-3-5-14/h1-5,8-9,11-13H,6-7,10H2,(H,20,21)(H,22,23)/t12-,13+/m1/s1
InChIKeyVXPWVDWWIHQHEY-OLZOCXBDSA-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

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119457932
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide
CID 175423540
3-[(2-chloropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103932881
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenoxypyridine-3-carboxamide
CID 66721366
cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675727
cis-(1R,3S)-3-[(5-fluoropyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320712
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide
CID 141350540
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120677474) is cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(Oc2ccccc2)ccn1.
What is the InChIKey of cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VXPWVDWWIHQHEY-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(20-13-7-6-12(10-13)18(22)23)16-11-15(8-9-19-16)24-14-4-2-1-3-5-14/h1-5,8-9,11-13H,6-7,10H2,(H,20,21)(H,22,23)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)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-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).