2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid

C14H20N2O4 — CID 102907053

IUPAC2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
SMILESCOCCc1ccccc1NC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(13(17)18)16(2)14(19)15-12-7-5-4-6-11(12)8-9-20-3/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyINETWDRPMYZUEV-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.81
Rot. Bonds6

About 2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid

2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid (PubChem CID 102907053) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
PubChem CID102907053
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
SMILESCOCCc1ccccc1NC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(13(17)18)16(2)14(19)15-12-7-5-4-6-11(12)8-9-20-3/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyINETWDRPMYZUEV-UHFFFAOYSA-N
XLogP1.81
TPSA78.87 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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
CID 55096880
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid
CID 62637000
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid
CID 107841438
1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methyl-3-(2-propylphenyl)urea
CID 97453326
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid (CID 102907053) is 2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid is COCCc1ccccc1NC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid?
The InChIKey is INETWDRPMYZUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(13(17)18)16(2)14(19)15-12-7-5-4-6-11(12)8-9-20-3/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid?
2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 102907053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).