2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid

C14H26N2O2 — CID 64728237

IUPAC2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
SMILESCCN(C(C)CC(C)(NC1CC1)C(=O)O)C1CC1
InChIInChI=1S/C14H26N2O2/c1-4-16(12-7-8-12)10(2)9-14(3,13(17)18)15-11-5-6-11/h10-12,15H,4-9H2,1-3H3,(H,17,18)
InChIKeyIFFFPLRAEWGJIP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.84
Rot. Bonds8

About 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid

2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid (PubChem CID 64728237) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
PubChem CID64728237
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
SMILESCCN(C(C)CC(C)(NC1CC1)C(=O)O)C1CC1
InChIInChI=1S/C14H26N2O2/c1-4-16(12-7-8-12)10(2)9-14(3,13(17)18)15-11-5-6-11/h10-12,15H,4-9H2,1-3H3,(H,17,18)
InChIKeyIFFFPLRAEWGJIP-UHFFFAOYSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728240
2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
CID 64710762
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
CID 64711089
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709693
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 64705280
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728349

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid (CID 64728237) is 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid is CCN(C(C)CC(C)(NC1CC1)C(=O)O)C1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid?
The InChIKey is IFFFPLRAEWGJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-16(12-7-8-12)10(2)9-14(3,13(17)18)15-11-5-6-11/h10-12,15H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid?
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 64728237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).