cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid

C14H18N2O3 — CID 114092665

IUPACcis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C(=O)O)c1ccncc1
InChIInChI=1S/C14H18N2O3/c1-9(10-5-7-15-8-6-10)16-13(17)11-3-2-4-12(11)14(18)19/h5-9,11-12H,2-4H2,1H3,(H,16,17)(H,18,19)/t9-,11+,12-/m0/s1
InChIKeyLZTUMQXKVCNHLJ-WCQGTBRESA-N
MW262.31 g/mol
LogP1.76
Rot. Bonds4

About cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092665) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092665
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namecis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C(=O)O)c1ccncc1
InChIInChI=1S/C14H18N2O3/c1-9(10-5-7-15-8-6-10)16-13(17)11-3-2-4-12(11)14(18)19/h5-9,11-12H,2-4H2,1H3,(H,16,17)(H,18,19)/t9-,11+,12-/m0/s1
InChIKeyLZTUMQXKVCNHLJ-WCQGTBRESA-N
XLogP1.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

6-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81404994
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
2-[1-(3,4-dichlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978108
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
(2S,3R)-3-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27492443
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
(1R,2S,3R,4R)-3-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98301620
(1S,2S,3S,4S)-3-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124718039
2-[1-(3,4-difluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 126786554
2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978075
3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
CID 65066385

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 114092665) is cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid is C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C(=O)O)c1ccncc1.
What is the InChIKey of cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LZTUMQXKVCNHLJ-WCQGTBRESA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(10-5-7-15-8-6-10)16-13(17)11-3-2-4-12(11)14(18)19/h5-9,11-12H,2-4H2,1H3,(H,16,17)(H,18,19)/t9-,11+,12-/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).