cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid

C15H16N2O2 — CID 106322010

IUPACcis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](Nc2ccnc3ccccc23)C1
InChIInChI=1S/C15H16N2O2/c18-15(19)10-5-6-11(9-10)17-14-7-8-16-13-4-2-1-3-12(13)14/h1-4,7-8,10-11H,5-6,9H2,(H,16,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyYMOWQJWAPJGEEY-MNOVXSKESA-N
MW256.31 g/mol
LogP2.90
Rot. Bonds3

About cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 106322010) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
PubChem CID106322010
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namecis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](Nc2ccnc3ccccc23)C1
InChIInChI=1S/C15H16N2O2/c18-15(19)10-5-6-11(9-10)17-14-7-8-16-13-4-2-1-3-12(13)14/h1-4,7-8,10-11H,5-6,9H2,(H,16,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyYMOWQJWAPJGEEY-MNOVXSKESA-N
XLogP2.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid (CID 106322010) is cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](Nc2ccnc3ccccc23)C1.
What is the InChIKey of cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is YMOWQJWAPJGEEY-MNOVXSKESA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)10-5-6-11(9-10)17-14-7-8-16-13-4-2-1-3-12(13)14/h1-4,7-8,10-11H,5-6,9H2,(H,16,17)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).