4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid

C17H26N2O2 — CID 116693729

IUPAC4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid
SMILESCCCN(CCC(NC)(C(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O2/c1-3-12-19(15-9-10-15)13-11-17(18-2,16(20)21)14-7-5-4-6-8-14/h4-8,15,18H,3,9-13H2,1-2H3,(H,20,21)
InChIKeyYKSFUFGOXGCQLH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.45
Rot. Bonds9

About 4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid

4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid (PubChem CID 116693729) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid
PubChem CID116693729
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid
SMILESCCCN(CCC(NC)(C(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O2/c1-3-12-19(15-9-10-15)13-11-17(18-2,16(20)21)14-7-5-4-6-8-14/h4-8,15,18H,3,9-13H2,1-2H3,(H,20,21)
InChIKeyYKSFUFGOXGCQLH-UHFFFAOYSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693715
2-(methylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanoic acid
CID 116694719
4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693923
2-(methylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694249
ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
CID 116693533
4-(2-methoxyethylsulfanyl)-2-(methylamino)-2-phenylbutanoic acid
CID 116694492
4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693758
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 62861208
3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 63632518
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
CID 116695124
4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437610
2-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)-2-phenylpropanoic acid
CID 106495672

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
The IUPAC name of 4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid (CID 116693729) is 4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
The canonical SMILES for 4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid is CCCN(CCC(NC)(C(=O)O)c1ccccc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
The InChIKey is YKSFUFGOXGCQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-12-19(15-9-10-15)13-11-17(18-2,16(20)21)14-7-5-4-6-8-14/h4-8,15,18H,3,9-13H2,1-2H3,(H,20,21).
What are the key properties of 4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid is sourced from PubChem (CID 116693729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).