3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid

C15H30N2O2 — CID 78977375

IUPAC3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid
SMILESCCCNC(C)(CN(CCC(C)C)C1CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-5-9-16-15(4,14(18)19)11-17(13-6-7-13)10-8-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyHNTKZKRQYVLZQJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds10

About 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid

3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid (PubChem CID 78977375) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid
PubChem CID78977375
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid
SMILESCCCNC(C)(CN(CCC(C)C)C1CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-5-9-16-15(4,14(18)19)11-17(13-6-7-13)10-8-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyHNTKZKRQYVLZQJ-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

4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
CID 78977393
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 78977422
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63466519
2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
CID 78977417
2-methyl-2-(3-methylbutylamino)pentanoic acid
CID 43619536
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78987321
methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
CID 78977372

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid?
The IUPAC name of 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid (CID 78977375) is 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid?
The canonical SMILES for 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid is CCCNC(C)(CN(CCC(C)C)C1CC1)C(=O)O.
What is the InChIKey of 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid?
The InChIKey is HNTKZKRQYVLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-9-16-15(4,14(18)19)11-17(13-6-7-13)10-8-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid?
3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic 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 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid is sourced from PubChem (CID 78977375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).