cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C17H20N2O4 — CID 120677529

IUPACcis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CN1C(=O)CCc2ccccc21)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H20N2O4/c20-15(18-13-7-5-12(9-13)17(22)23)10-19-14-4-2-1-3-11(14)6-8-16(19)21/h1-4,12-13H,5-10H2,(H,18,20)(H,22,23)/t12-,13+/m1/s1
InChIKeyKRWKNUUIRLGYPY-OLZOCXBDSA-N
MW316.36 g/mol
LogP1.34
Rot. Bonds4

About cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677529) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677529
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namecis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CN1C(=O)CCc2ccccc21)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H20N2O4/c20-15(18-13-7-5-12(9-13)17(22)23)10-19-14-4-2-1-3-11(14)6-8-16(19)21/h1-4,12-13H,5-10H2,(H,18,20)(H,22,23)/t12-,13+/m1/s1
InChIKeyKRWKNUUIRLGYPY-OLZOCXBDSA-N
XLogP1.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678518
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-piperidin-4-ylacetamide
CID 125134274
N-[(1R,2R)-2-methylcyclopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 95702472
5-methyl-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118273
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203
(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229704
cis-(1R,3S)-3-[[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 167791723
N-cyclohexylsulfonyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 136525098
cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320641
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120677529) is cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CN1C(=O)CCc2ccccc21)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is KRWKNUUIRLGYPY-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15(18-13-7-5-12(9-13)17(22)23)10-19-14-4-2-1-3-11(14)6-8-16(19)21/h1-4,12-13H,5-10H2,(H,18,20)(H,22,23)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).