trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C16H16N2O4 — CID 124703895

IUPACtrans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CCC[C@@H]1C(=O)O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H16N2O4/c19-14-8-11(9-4-1-2-6-12(9)17-14)15(20)18-13-7-3-5-10(13)16(21)22/h1-2,4,6,8,10,13H,3,5,7H2,(H,17,19)(H,18,20)(H,21,22)/t10-,13-/m0/s1
InChIKeyUMQFNWRQYYRHSG-GWCFXTLKSA-N
MW300.31 g/mol
LogP1.51
Rot. Bonds3

About trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid

trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 124703895) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID124703895
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Nametrans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CCC[C@@H]1C(=O)O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H16N2O4/c19-14-8-11(9-4-1-2-6-12(9)17-14)15(20)18-13-7-3-5-10(13)16(21)22/h1-2,4,6,8,10,13H,3,5,7H2,(H,17,19)(H,18,20)(H,21,22)/t10-,13-/m0/s1
InChIKeyUMQFNWRQYYRHSG-GWCFXTLKSA-N
XLogP1.51
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
CID 25475206
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 10086797
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 72927897
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94694746
[(2S)-1-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 100839094

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 124703895) is trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CCC[C@@H]1C(=O)O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UMQFNWRQYYRHSG-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-14-8-11(9-4-1-2-6-12(9)17-14)15(20)18-13-7-3-5-10(13)16(21)22/h1-2,4,6,8,10,13H,3,5,7H2,(H,17,19)(H,18,20)(H,21,22)/t10-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 300.31 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 trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 124703895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).