3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid

C15H30N2O2 — CID 79650792

IUPAC3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(N(C)C(C)(C)CC)C1
InChIInChI=1S/C15H30N2O2/c1-6-10-16-15(13(18)19)9-8-12(11-15)17(5)14(3,4)7-2/h12,16H,6-11H2,1-5H3,(H,18,19)
InChIKeyDQSGQMFEERJHRE-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.48
Rot. Bonds7

About 3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid

3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 79650792) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID79650792
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(N(C)C(C)(C)CC)C1
InChIInChI=1S/C15H30N2O2/c1-6-10-16-15(13(18)19)9-8-12(11-15)17(5)14(3,4)7-2/h12,16H,6-11H2,1-5H3,(H,18,19)
InChIKeyDQSGQMFEERJHRE-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dipropylamino)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650503
3-[cyclopentyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655611
3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 81061547
3-[3-methoxypropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79651627
3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636297
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79654798
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79654994
ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79641781
ethyl 1-(ethylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79633705
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79626183
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 82743171

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid (CID 79650792) is 3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCC(N(C)C(C)(C)CC)C1.
What is the InChIKey of 3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is DQSGQMFEERJHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-10-16-15(13(18)19)9-8-12(11-15)17(5)14(3,4)7-2/h12,16H,6-11H2,1-5H3,(H,18,19).
What are the key properties of 3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid?
3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79650792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).