4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid

C16H30N2O2 — CID 107401068

IUPAC4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
SMILESCCN(CC1CCC1)C(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C16H30N2O2/c1-4-18(11-13-6-5-7-13)12(2)10-16(3,15(19)20)17-14-8-9-14/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyXDXIQVCNDOQIPX-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.48
Rot. Bonds9

About 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid

4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid (PubChem CID 107401068) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
PubChem CID107401068
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
SMILESCCN(CC1CCC1)C(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C16H30N2O2/c1-4-18(11-13-6-5-7-13)12(2)10-16(3,15(19)20)17-14-8-9-14/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyXDXIQVCNDOQIPX-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070
2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 64705280
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 107402528
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
CID 64710762
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
CID 64711089
4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64719807
2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
CID 64711790
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid (CID 107401068) is 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid is CCN(CC1CCC1)C(C)CC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid?
The InChIKey is XDXIQVCNDOQIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-18(11-13-6-5-7-13)12(2)10-16(3,15(19)20)17-14-8-9-14/h12-14,17H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid?
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid is sourced from PubChem (CID 107401068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).