3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid

C15H30N2O2 — CID 79654994

IUPAC3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N(C)C(C)C(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-7-16-15(13(18)19)9-8-12(10-15)17(6)11(2)14(3,4)5/h11-12,16H,7-10H2,1-6H3,(H,18,19)
InChIKeyKVSRVFYIQGGEBH-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds5

About 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid

3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid (PubChem CID 79654994) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
PubChem CID79654994
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N(C)C(C)C(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-7-16-15(13(18)19)9-8-12(10-15)17(6)11(2)14(3,4)5/h11-12,16H,7-10H2,1-6H3,(H,18,19)
InChIKeyKVSRVFYIQGGEBH-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)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-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641743
1-(ethylamino)-3-[ethyl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79654741
3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655731
ethyl 1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655265
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid
CID 79647444
1-(methylamino)-3-[methyl(pentan-3-yl)amino]cyclopentane-1-carboxylic acid
CID 79654676
1-(ethylamino)-3-[methyl(oxan-4-ylmethyl)amino]cyclopentane-1-carboxylic acid
CID 79650862
1-(cyclopropylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655123
3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650792
1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide
CID 79655573

Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid (CID 79654994) is 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(N(C)C(C)C(C)(C)C)C1.
What is the InChIKey of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KVSRVFYIQGGEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-16-15(13(18)19)9-8-12(10-15)17(6)11(2)14(3,4)5/h11-12,16H,7-10H2,1-6H3,(H,18,19).
What are the key properties of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79654994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).