4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid

C15H30N2O2 — CID 64711737

IUPAC4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(C)C(C)C1CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-6-9-16-15(4,14(18)19)10-11(2)17(5)12(3)13-7-8-13/h11-13,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyMQDTZFMRLDYHDU-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds9

About 4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid

4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 64711737) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
PubChem CID64711737
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(C)C(C)C1CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-6-9-16-15(4,14(18)19)10-11(2)17(5)12(3)13-7-8-13/h11-13,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyMQDTZFMRLDYHDU-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-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-methylpentanamide
CID 64709984
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64726647
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 82752804
2-methyl-4-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentanoic acid
CID 64705224
4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64728207
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 63909146
4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 64726316

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid (CID 64711737) is 4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)N(C)C(C)C1CC1)C(=O)O.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is MQDTZFMRLDYHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-9-16-15(4,14(18)19)10-11(2)17(5)12(3)13-7-8-13/h11-13,16H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)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 4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64711737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).