5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid

C15H30N2O2 — CID 63955670

IUPAC5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCN(CC)CC1CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-4-10-16-15(3,14(18)19)9-6-11-17(5-2)12-13-7-8-13/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyBVGWZAUIAUPLNY-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds11

About 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid

5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 63955670) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
PubChem CID63955670
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCN(CC)CC1CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-4-10-16-15(3,14(18)19)9-6-11-17(5-2)12-13-7-8-13/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyBVGWZAUIAUPLNY-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
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

Analyze 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid (CID 63955670) is 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CCCN(CC)CC1CC1)C(=O)O.
What is the InChIKey of 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is BVGWZAUIAUPLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-10-16-15(3,14(18)19)9-6-11-17(5-2)12-13-7-8-13/h13,16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 63955670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).