3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid

C14H20N2O4 — CID 62338366

IUPAC3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid
SMILESCC(O)CN(C)C(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-11(17)10-15(2)14(20)16(9-8-13(18)19)12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,18,19)
InChIKeyWHIUXKPUUPRGKS-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.40
Rot. Bonds6

About 3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid

3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid (PubChem CID 62338366) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid.

Molecular Properties

Compound Name3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid
PubChem CID62338366
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid
SMILESCC(O)CN(C)C(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-11(17)10-15(2)14(20)16(9-8-13(18)19)12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,18,19)
InChIKeyWHIUXKPUUPRGKS-UHFFFAOYSA-N
XLogP1.40
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid
CID 62335673
3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid
CID 62338364
3-(4-methyl-N-[methyl(2-methylpropyl)carbamoyl]anilino)propanoic acid
CID 61196438
3-(N-[methyl(pentan-2-yl)carbamoyl]anilino)propanoic acid
CID 61203469
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 112602036
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
CID 43329801
3-(N-[butan-2-yl(methyl)carbamoyl]-4-methylanilino)propanoic acid
CID 61196799
3-[N-(2-acetamidopropanoyl)anilino]propanoic acid
CID 60830268
3-(N-(2-amino-3,3-dimethylbutanoyl)anilino)propanoic acid
CID 76894166
3-[N-(2-hydroxypropyl)-4-methylanilino]propanoic acid
CID 60886015

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid?
The IUPAC name of 3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid (CID 62338366) is 3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid.
What is the SMILES notation for 3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid?
The canonical SMILES for 3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid is CC(O)CN(C)C(=O)N(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid?
The InChIKey is WHIUXKPUUPRGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-11(17)10-15(2)14(20)16(9-8-13(18)19)12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid?
3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid is sourced from PubChem (CID 62338366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).