3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid

C15H28N2O2 — CID 79655731

IUPAC3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N(CC(C)C)C2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-4-16-15(14(18)19)8-7-13(9-15)17(10-11(2)3)12-5-6-12/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyOQDXWNRCUDHLCY-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds7

About 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid

3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid (PubChem CID 79655731) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
PubChem CID79655731
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N(CC(C)C)C2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-4-16-15(14(18)19)8-7-13(9-15)17(10-11(2)3)12-5-6-12/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyOQDXWNRCUDHLCY-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79646666
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79626183
methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79626185
[3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentyl]methanol
CID 79656461
3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655734
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79654994
1-(ethylamino)-3-[ethyl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79654741
1-(ethylamino)-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649949
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid
CID 79647444
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504
3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650513

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid (CID 79655731) is 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(N(CC(C)C)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is OQDXWNRCUDHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-16-15(14(18)19)8-7-13(9-15)17(10-11(2)3)12-5-6-12/h11-13,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 268.40 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-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79655731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).