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

C16H24N2O2 — CID 116693715

IUPAC4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
SMILESCCN(CCC(NC)(C(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-18(14-9-10-14)12-11-16(17-2,15(19)20)13-7-5-4-6-8-13/h4-8,14,17H,3,9-12H2,1-2H3,(H,19,20)
InChIKeyMSTGRAXPBHMTKZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.06
Rot. Bonds8

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

4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid (PubChem CID 116693715) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
PubChem CID116693715
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
SMILESCCN(CCC(NC)(C(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-18(14-9-10-14)12-11-16(17-2,15(19)20)13-7-5-4-6-8-13/h4-8,14,17H,3,9-12H2,1-2H3,(H,19,20)
InChIKeyMSTGRAXPBHMTKZ-UHFFFAOYSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693729
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
CID 116695124
4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695126
4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693923
2-(methylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanoic acid
CID 116694719
4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248437
ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
CID 116693533
2-(methylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694249
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
4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693705

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
The IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid (CID 116693715) is 4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
The canonical SMILES for 4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid is CCN(CCC(NC)(C(=O)O)c1ccccc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
The InChIKey is MSTGRAXPBHMTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18(14-9-10-14)12-11-16(17-2,15(19)20)13-7-5-4-6-8-13/h4-8,14,17H,3,9-12H2,1-2H3,(H,19,20).
What are the key properties of 4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid is sourced from PubChem (CID 116693715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).