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

C15H30N2O2 — CID 79650513

IUPAC3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCCN(CC(C)C)C1CCC(NC(C)C)(C(=O)O)C1
InChIInChI=1S/C15H30N2O2/c1-6-17(10-11(2)3)13-7-8-15(9-13,14(18)19)16-12(4)5/h11-13,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyUQGCFXADAWWJFS-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds7

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

3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79650513) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79650513
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCCN(CC(C)C)C1CCC(NC(C)C)(C(=O)O)C1
InChIInChI=1S/C15H30N2O2/c1-6-17(10-11(2)3)13-7-8-15(9-13,14(18)19)16-12(4)5/h11-13,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyUQGCFXADAWWJFS-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654965
3-[2-ethoxyethyl(ethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650786
3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646901
3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79655077
3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651710
ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79649720
3-[1-cyclopropylethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79655631
3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide
CID 79654785
3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655731
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654981
ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79626619
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79650513) is 3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CCN(CC(C)C)C1CCC(NC(C)C)(C(=O)O)C1.
What is the InChIKey of 3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is UQGCFXADAWWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-17(10-11(2)3)13-7-8-15(9-13,14(18)19)16-12(4)5/h11-13,16H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79650513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).