2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid

C16H23NO2 — CID 78974311

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid
SMILESCC(C)CCN(C1CC1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-12(2)10-11-17(14-8-9-14)15(16(18)19)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,19)
InChIKeyRPVOQLBOIHMLCE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.32
Rot. Bonds7

About 2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid

2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid (PubChem CID 78974311) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid
PubChem CID78974311
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid
SMILESCC(C)CCN(C1CC1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-12(2)10-11-17(14-8-9-14)15(16(18)19)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,19)
InChIKeyRPVOQLBOIHMLCE-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid
CID 78924050
N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 78989643
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
1-cyclopropyl-1-(3-methylbutyl)-3-(1-phenylbutyl)urea
CID 112832054
2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 122083006
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
CID 63578760
2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 122100872
3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
CID 65055124
3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 65054486

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid (CID 78974311) is 2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid is CC(C)CCN(C1CC1)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid?
The InChIKey is RPVOQLBOIHMLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)10-11-17(14-8-9-14)15(16(18)19)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid?
2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 78974311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).