3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid

C16H22N2O3 — CID 63996741

IUPAC3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid
SMILESCC(CC1CC1)NC(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12(11-13-7-8-13)17-16(21)18(10-9-15(19)20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyVAYSAIKQUJPEAM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.87
Rot. Bonds7

About 3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid

3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid (PubChem CID 63996741) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid
PubChem CID63996741
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid
SMILESCC(CC1CC1)NC(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12(11-13-7-8-13)17-16(21)18(10-9-15(19)20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyVAYSAIKQUJPEAM-UHFFFAOYSA-N
XLogP2.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid
CID 63995347
3-[[butyl(phenyl)carbamoyl]amino]butanoic acid
CID 64585223
4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
CID 61188489
3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 112602036
3-[N-(2-acetamidopropanoyl)anilino]propanoic acid
CID 60830268
3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid
CID 61402703
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 61159722
3-(N-[methyl(pentan-2-yl)carbamoyl]anilino)propanoic acid
CID 61203469
3-[N-(1-cyclohexylethyl)anilino]propanoic acid
CID 65059416
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835

Frequently Asked Questions

What is the IUPAC name of 3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid (CID 63996741) is 3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid is CC(CC1CC1)NC(=O)N(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid?
The InChIKey is VAYSAIKQUJPEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(11-13-7-8-13)17-16(21)18(10-9-15(19)20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid?
3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid is sourced from PubChem (CID 63996741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).