cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid

C17H18N2O3 — CID 120674754

IUPACcis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccc2cccnc12)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C17H18N2O3/c20-15(19-14-7-6-13(9-14)17(21)22)10-12-4-1-3-11-5-2-8-18-16(11)12/h1-5,8,13-14H,6-7,9-10H2,(H,19,20)(H,21,22)/t13-,14+/m0/s1
InChIKeyUIRHDZGHJIIHDE-UONOGXRCSA-N
MW298.34 g/mol
LogP2.15
Rot. Bonds4

About cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120674754) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120674754
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namecis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccc2cccnc12)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C17H18N2O3/c20-15(19-14-7-6-13(9-14)17(21)22)10-12-4-1-3-11-5-2-8-18-16(11)12/h1-5,8,13-14H,6-7,9-10H2,(H,19,20)(H,21,22)/t13-,14+/m0/s1
InChIKeyUIRHDZGHJIIHDE-UONOGXRCSA-N
XLogP2.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid
CID 120533028
N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide
CID 166373675
N-cyclohexyl-2-(quinolin-8-ylmethylcarbamoylamino)acetamide
CID 51099740
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide
CID 98701498
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
cis-(1R,3S)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120677762
cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675430
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid (CID 120674754) is cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid is O=C(Cc1cccc2cccnc12)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UIRHDZGHJIIHDE-UONOGXRCSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-15(19-14-7-6-13(9-14)17(21)22)10-12-4-1-3-11-5-2-8-18-16(11)12/h1-5,8,13-14H,6-7,9-10H2,(H,19,20)(H,21,22)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120674754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).