2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid

C15H28N2O2 — CID 64710762

IUPAC2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)N(C)C(C)C1CC1
InChIInChI=1S/C15H28N2O2/c1-10(17(4)11(2)12-5-6-12)9-15(3,14(18)19)16-13-7-8-13/h10-13,16H,5-9H2,1-4H3,(H,18,19)
InChIKeyQMPGOEBXVHFQFS-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds8

About 2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid

2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid (PubChem CID 64710762) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
PubChem CID64710762
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)N(C)C(C)C1CC1
InChIInChI=1S/C15H28N2O2/c1-10(17(4)11(2)12-5-6-12)9-15(3,14(18)19)16-13-7-8-13/h10-13,16H,5-9H2,1-4H3,(H,18,19)
InChIKeyQMPGOEBXVHFQFS-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
CID 64711089
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-methylpentanamide
CID 64709984
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 64705280
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
CID 79489042
ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate
CID 64711612
2-(cyclopropylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82956944

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid (CID 64710762) is 2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid is CC(CC(C)(NC1CC1)C(=O)O)N(C)C(C)C1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid?
The InChIKey is QMPGOEBXVHFQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10(17(4)11(2)12-5-6-12)9-15(3,14(18)19)16-13-7-8-13/h10-13,16H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid?
2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid has a molecular weight of 268.40 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 64710762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).