4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid

C14H28N2O2 — CID 64728207

IUPAC4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N(C)C1CCCC1)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-5-15-14(3,13(17)18)10-11(2)16(4)12-8-6-7-9-12/h11-12,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyZXALDUJBASXJOB-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.09
Rot. Bonds7

About 4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid

4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid (PubChem CID 64728207) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
PubChem CID64728207
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N(C)C1CCCC1)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-5-15-14(3,13(17)18)10-11(2)16(4)12-8-6-7-9-12/h11-12,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyZXALDUJBASXJOB-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64710589
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 64725416
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711700
ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
CID 64710194
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 105416931
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
2-methyl-2-(methylamino)-4-[methyl-(4-methylcyclohexyl)amino]pentanamide
CID 64709356
4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 102996545
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid?
The IUPAC name of 4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid (CID 64728207) is 4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid is CCNC(C)(CC(C)N(C)C1CCCC1)C(=O)O.
What is the InChIKey of 4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid?
The InChIKey is ZXALDUJBASXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-15-14(3,13(17)18)10-11(2)16(4)12-8-6-7-9-12/h11-12,15H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid?
4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid has a molecular weight of 256.39 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 4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 64728207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).