4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid

C14H17NO3 — CID 104698132

IUPAC4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid
SMILESCC(C(=O)N(C)c1ccc(C(=O)O)cc1)C1CC1
InChIInChI=1S/C14H17NO3/c1-9(10-3-4-10)13(16)15(2)12-7-5-11(6-8-12)14(17)18/h5-10H,3-4H2,1-2H3,(H,17,18)
InChIKeyIPKPIQKIDQUJRP-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.39
Rot. Bonds4

About 4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid

4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid (PubChem CID 104698132) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid
PubChem CID104698132
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid
SMILESCC(C(=O)N(C)c1ccc(C(=O)O)cc1)C1CC1
InChIInChI=1S/C14H17NO3/c1-9(10-3-4-10)13(16)15(2)12-7-5-11(6-8-12)14(17)18/h5-10H,3-4H2,1-2H3,(H,17,18)
InChIKeyIPKPIQKIDQUJRP-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(2-methylsulfonylpropanoyl)amino]benzoic acid
CID 104697933
4-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]benzoic acid
CID 104698691
4-[methyl(pyrrolidine-1-carbonyl)amino]benzoic acid
CID 104698233
4-[[(2S)-2-aminobutanoyl]-methylamino]benzoic acid
CID 113442786
4-[(2-acetamido-3-methylbutanoyl)-methylamino]benzoic acid
CID 104698191
4-[2-ethylhexanoyl(methyl)amino]benzoic acid
CID 104698018
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
2-cyclopropyl-2-(4-fluorophenyl)-N-methyl-N-phenylacetamide
CID 110355956
4-[ethyl(propan-2-yl)amino]benzoic acid
CID 43265964
4-[cyclopropylsulfonyl(methyl)amino]benzoic acid
CID 104698286
ethane-1,1-diol;terephthalic acid
CID 68971815

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid?
The IUPAC name of 4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid (CID 104698132) is 4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid.
What is the SMILES notation for 4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid?
The canonical SMILES for 4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid is CC(C(=O)N(C)c1ccc(C(=O)O)cc1)C1CC1.
What is the InChIKey of 4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid?
The InChIKey is IPKPIQKIDQUJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(10-3-4-10)13(16)15(2)12-7-5-11(6-8-12)14(17)18/h5-10H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid?
4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropylpropanoyl(methyl)amino]benzoic acid is sourced from PubChem (CID 104698132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).