3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid

C18H27NO2 — CID 65055124

IUPAC3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
SMILESCC(C)Cc1ccc(C(C)N(CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)12-15-4-6-16(7-5-15)14(3)19(17-8-9-17)11-10-18(20)21/h4-7,13-14,17H,8-12H2,1-3H3,(H,20,21)
InChIKeyNFBQIPMBMKAUIS-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.89
Rot. Bonds8

About 3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid

3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid (PubChem CID 65055124) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
PubChem CID65055124
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
SMILESCC(C)Cc1ccc(C(C)N(CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)12-15-4-6-16(7-5-15)14(3)19(17-8-9-17)11-10-18(20)21/h4-7,13-14,17H,8-12H2,1-3H3,(H,20,21)
InChIKeyNFBQIPMBMKAUIS-UHFFFAOYSA-N
XLogP3.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 65054486
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid
CID 65059099
3-[cyclopropyl-[1-(2,5-dihydroxyphenyl)ethyl]amino]propanoic acid
CID 65055025
3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid
CID 65054983
2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid
CID 65058019
3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
CID 65059340
(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 28931162
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906
4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 82349333
2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid
CID 78974311

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid (CID 65055124) is 3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid is CC(C)Cc1ccc(C(C)N(CCC(=O)O)C2CC2)cc1.
What is the InChIKey of 3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid?
The InChIKey is NFBQIPMBMKAUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)12-15-4-6-16(7-5-15)14(3)19(17-8-9-17)11-10-18(20)21/h4-7,13-14,17H,8-12H2,1-3H3,(H,20,21).
What are the key properties of 3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid?
3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid is sourced from PubChem (CID 65055124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).