4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid

C15H30N2O2 — CID 107401133

IUPAC4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
SMILESCCCNC(C)(CCN(CC)CC1CCC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-4-10-16-15(3,14(18)19)9-11-17(5-2)12-13-7-6-8-13/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyNZCZOMXENWFDCH-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds10

About 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid (PubChem CID 107401133) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
PubChem CID107401133
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
SMILESCCCNC(C)(CCN(CC)CC1CCC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-4-10-16-15(3,14(18)19)9-11-17(5-2)12-13-7-6-8-13/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyNZCZOMXENWFDCH-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63955670
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
CID 63955268
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
CID 107401130
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 107401191
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid
CID 107401707
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 63955060
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
CID 63954259

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid (CID 107401133) is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid is CCCNC(C)(CCN(CC)CC1CCC1)C(=O)O.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid?
The InChIKey is NZCZOMXENWFDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-10-16-15(3,14(18)19)9-11-17(5-2)12-13-7-6-8-13/h13,16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid?
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 10 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-methyl-2-(propylamino)butanoic acid is sourced from PubChem (CID 107401133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).