4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid

C15H22N2O4 — CID 62335673

IUPAC4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid
SMILESCC(O)CN(C)C(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-12(18)11-16(2)15(21)17(10-6-9-14(19)20)13-7-4-3-5-8-13/h3-5,7-8,12,18H,6,9-11H2,1-2H3,(H,19,20)
InChIKeyIVSMXXTZAGWHRK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.79
Rot. Bonds7

About 4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid

4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid (PubChem CID 62335673) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid.

Molecular Properties

Compound Name4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid
PubChem CID62335673
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid
SMILESCC(O)CN(C)C(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-12(18)11-16(2)15(21)17(10-6-9-14(19)20)13-7-4-3-5-8-13/h3-5,7-8,12,18H,6,9-11H2,1-2H3,(H,19,20)
InChIKeyIVSMXXTZAGWHRK-UHFFFAOYSA-N
XLogP1.79
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid
CID 62338366
3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid
CID 62338364
4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
CID 43329801
3-(4-methyl-N-[methyl(2-methylpropyl)carbamoyl]anilino)propanoic acid
CID 61196438
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61186680
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835
4-[N-(3-methylsulfanylpropanoyl)anilino]butanoic acid
CID 60657240
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828
3-(N-[methyl(pentan-2-yl)carbamoyl]anilino)propanoic acid
CID 61203469
4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
CID 61188489

Frequently Asked Questions

What is the IUPAC name of 4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid?
The IUPAC name of 4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid (CID 62335673) is 4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid.
What is the SMILES notation for 4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid?
The canonical SMILES for 4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid is CC(O)CN(C)C(=O)N(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid?
The InChIKey is IVSMXXTZAGWHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12(18)11-16(2)15(21)17(10-6-9-14(19)20)13-7-4-3-5-8-13/h3-5,7-8,12,18H,6,9-11H2,1-2H3,(H,19,20).
What are the key properties of 4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid?
4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid is sourced from PubChem (CID 62335673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).