3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid

C17H25NO2 — CID 78924050

IUPAC3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid
SMILESCC(C)CCN(C1CC1)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(2)10-11-18(15-8-9-15)16(12-17(19)20)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,19,20)
InChIKeyLSPQTDJBQOXAHA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.71
Rot. Bonds8

About 3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid

3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid (PubChem CID 78924050) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid
PubChem CID78924050
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid
SMILESCC(C)CCN(C1CC1)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(2)10-11-18(15-8-9-15)16(12-17(19)20)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,19,20)
InChIKeyLSPQTDJBQOXAHA-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid
CID 78974311
N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 78989643
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218
1-cyclopropyl-1-(3-methylbutyl)-3-(1-phenylbutyl)urea
CID 112832054
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
CID 79969641
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
3-[methyl(propan-2-yl)amino]-3-phenylpropanoic acid
CID 63068759
3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide
CID 62780290
N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine
CID 79013721
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906
3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid
CID 63067633

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid (CID 78924050) is 3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid is CC(C)CCN(C1CC1)C(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid?
The InChIKey is LSPQTDJBQOXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)10-11-18(15-8-9-15)16(12-17(19)20)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid?
3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 78924050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).