2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid

C17H20ClNO3 — CID 120977883

IUPAC2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid
SMILESCCC(NC(=O)C1CC1C1CC1)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO3/c1-2-17(16(21)22,11-5-7-12(18)8-6-11)19-15(20)14-9-13(14)10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3,(H,19,20)(H,21,22)
InChIKeySVMMITAWYCBUIX-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.19
Rot. Bonds6

About 2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid

2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 120977883) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID120977883
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid
SMILESCCC(NC(=O)C1CC1C1CC1)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO3/c1-2-17(16(21)22,11-5-7-12(18)8-6-11)19-15(20)14-9-13(14)10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3,(H,19,20)(H,21,22)
InChIKeySVMMITAWYCBUIX-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120977798
(2R)-2-(4-chlorophenyl)-2-[[(2S)-1,4-dioxane-2-carbonyl]amino]butanoic acid
CID 125118753
(2S)-2-(4-chlorophenyl)-2-[[(2R)-1,4-dioxane-2-carbonyl]amino]butanoic acid
CID 125118751
2-(4-chlorophenyl)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 120977684
2-(4-chlorophenyl)-2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 120977777
2-(4-chlorophenyl)-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120977923
2-(4-chlorophenyl)-2-[3-(oxan-4-yl)propanoylamino]butanoic acid
CID 120977792
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201732
2-phenyl-2-(thiane-4-carbonylamino)butanoic acid
CID 120519058
2-(4-chlorophenyl)-2-[(1-cyclopropylpyrazole-4-carbonyl)amino]butanoic acid
CID 136556361
2-(4-chlorophenyl)-2-[[4-oxo-4-(propylamino)butanoyl]amino]butanoic acid
CID 120977719
2-(4-chlorophenyl)-2-(2-thiophen-2-ylpropanoylamino)butanoic acid
CID 120977929

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid (CID 120977883) is 2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid is CCC(NC(=O)C1CC1C1CC1)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is SVMMITAWYCBUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c1-2-17(16(21)22,11-5-7-12(18)8-6-11)19-15(20)14-9-13(14)10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid?
2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 321.80 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 120977883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).