2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid

C15H30N2O2 — CID 64711089

IUPAC2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
SMILESCC(C)CCN(C)C(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-11(2)8-9-17(5)12(3)10-15(4,14(18)19)16-13-6-7-13/h11-13,16H,6-10H2,1-5H3,(H,18,19)
InChIKeySJNFVNHOAIYIIW-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds9

About 2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid

2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid (PubChem CID 64711089) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
PubChem CID64711089
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
SMILESCC(C)CCN(C)C(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-11(2)8-9-17(5)12(3)10-15(4,14(18)19)16-13-6-7-13/h11-13,16H,6-10H2,1-5H3,(H,18,19)
InChIKeySJNFVNHOAIYIIW-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
CID 64710762
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 64705280
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide
CID 64710348
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
2-(cyclobutylamino)-2,5-dimethylhexanoic acid
CID 115001848
2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
CID 79489042
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
2-(cyclopropylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82956944
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid (CID 64711089) is 2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid is CC(C)CCN(C)C(C)CC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid?
The InChIKey is SJNFVNHOAIYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)8-9-17(5)12(3)10-15(4,14(18)19)16-13-6-7-13/h11-13,16H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid?
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid is sourced from PubChem (CID 64711089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).