3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid

C15H30N2O2 — CID 79655077

IUPAC3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCC(CC)CN(CC)C1CCC(NC)(C(=O)O)C1
InChIInChI=1S/C15H30N2O2/c1-5-12(6-2)11-17(7-3)13-8-9-15(10-13,16-4)14(18)19/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyMQROWVXZWBAULZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds8

About 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid

3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 79655077) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID79655077
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCC(CC)CN(CC)C1CCC(NC)(C(=O)O)C1
InChIInChI=1S/C15H30N2O2/c1-5-12(6-2)11-17(7-3)13-8-9-15(10-13,16-4)14(18)19/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyMQROWVXZWBAULZ-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide
CID 79654785
3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646901
1-(methylamino)-3-[methyl(pentan-3-yl)amino]cyclopentane-1-carboxylic acid
CID 79654676
3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650513
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636451
3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654965
1-(ethylamino)-3-[ethyl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79654741
3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636692
3-[butan-2-yl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79655033
3-[2-ethoxyethyl(ethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650786
1-(ethylamino)-3-[ethyl(2-ethylbutyl)amino]cyclopentane-1-carbonitrile
CID 79639672
3-(dipropylamino)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650503

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid (CID 79655077) is 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid is CCC(CC)CN(CC)C1CCC(NC)(C(=O)O)C1.
What is the InChIKey of 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is MQROWVXZWBAULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-12(6-2)11-17(7-3)13-8-9-15(10-13,16-4)14(18)19/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid?
3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79655077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).