3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

C14H28N2O2 — CID 79654965

IUPAC3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCCCN(CC)C1CCC(NC(C)C)(C(=O)O)C1
InChIInChI=1S/C14H28N2O2/c1-5-9-16(6-2)12-7-8-14(10-12,13(17)18)15-11(3)4/h11-12,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyYNNPEWFRPPMHMH-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.09
Rot. Bonds7

About 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79654965) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79654965
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCCCN(CC)C1CCC(NC(C)C)(C(=O)O)C1
InChIInChI=1S/C14H28N2O2/c1-5-9-16(6-2)12-7-8-14(10-12,13(17)18)15-11(3)4/h11-12,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyYNNPEWFRPPMHMH-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650513
3-[2-ethoxyethyl(ethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650786
1-(ethylamino)-3-[ethyl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79654741
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636451
3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636297
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636529
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79647875
3-(dipropylamino)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650503
methyl 3-[butyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79627274
1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646380
3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651710
3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650033

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79654965) is 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CCCN(CC)C1CCC(NC(C)C)(C(=O)O)C1.
What is the InChIKey of 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is YNNPEWFRPPMHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-9-16(6-2)12-7-8-14(10-12,13(17)18)15-11(3)4/h11-12,15H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 256.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79654965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).