3-(dibenzylamino)cyclopentane-1-carboxylic acid

C20H23NO2 — CID 67068353

IUPAC3-(dibenzylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C20H23NO2/c22-20(23)18-11-12-19(13-18)21(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,22,23)
InChIKeyUQSQJEOYKAOPQZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.94
Rot. Bonds6

About 3-(dibenzylamino)cyclopentane-1-carboxylic acid

3-(dibenzylamino)cyclopentane-1-carboxylic acid (PubChem CID 67068353) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(dibenzylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(dibenzylamino)cyclopentane-1-carboxylic acid
PubChem CID67068353
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(dibenzylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C20H23NO2/c22-20(23)18-11-12-19(13-18)21(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,22,23)
InChIKeyUQSQJEOYKAOPQZ-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dibenzylamino)cyclohexane-1-carboxylic acid
CID 71024282
methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 159448743
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117038263
[(4S)-4-(dibenzylamino)-2-methylcyclohexyl]carbamic acid
CID 89477255
[(3R)-3-(dibenzylamino)cyclopentyl]methanol
CID 141255961
(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde;(3R)-3-(dibenzylamino)-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 158638265
1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone
CID 139369144
(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
CID 150583379
N,N-dibenzylcyclobutanamine
CID 70822586
4-(dibenzylamino)-2-methylcyclohexan-1-one
CID 77201422
2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol
CID 71227791

Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(dibenzylamino)cyclopentane-1-carboxylic acid (CID 67068353) is 3-(dibenzylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(dibenzylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(dibenzylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 3-(dibenzylamino)cyclopentane-1-carboxylic acid?
The InChIKey is UQSQJEOYKAOPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(23)18-11-12-19(13-18)21(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,22,23).
What are the key properties of 3-(dibenzylamino)cyclopentane-1-carboxylic acid?
3-(dibenzylamino)cyclopentane-1-carboxylic acid has a molecular weight of 309.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 67068353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).