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

C17H34N2O2 — CID 78998498

IUPAC4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(CCC(C)C)C1CC1)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-6-10-18-17(5,16(20)21)12-14(4)19(15-7-8-15)11-9-13(2)3/h13-15,18H,6-12H2,1-5H3,(H,20,21)
InChIKeyRUEFZPFUJRQEJJ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.12
Rot. Bonds11

About 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid

4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 78998498) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
PubChem CID78998498
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(CCC(C)C)C1CC1)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-6-10-18-17(5,16(20)21)12-14(4)19(15-7-8-15)11-9-13(2)3/h13-15,18H,6-12H2,1-5H3,(H,20,21)
InChIKeyRUEFZPFUJRQEJJ-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid
CID 78977375
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64711835
2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709693
2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoic acid
CID 107756173
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 78989879

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid (CID 78998498) is 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)N(CCC(C)C)C1CC1)C(=O)O.
What is the InChIKey of 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is RUEFZPFUJRQEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-10-18-17(5,16(20)21)12-14(4)19(15-7-8-15)11-9-13(2)3/h13-15,18H,6-12H2,1-5H3,(H,20,21).
What are the key properties of 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 298.47 g/mol, XLogP of 3.12, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 78998498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).