2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid

C13H18N2O4 — CID 62637949

IUPAC2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid
SMILESCOCc1cccc(NC(=O)N(C)C(C)C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-9(12(16)17)15(2)13(18)14-11-6-4-5-10(7-11)8-19-3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyMNYAZSFWRMVTMI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.77
Rot. Bonds5

About 2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid

2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid (PubChem CID 62637949) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid
PubChem CID62637949
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid
SMILESCOCc1cccc(NC(=O)N(C)C(C)C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-9(12(16)17)15(2)13(18)14-11-6-4-5-10(7-11)8-19-3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyMNYAZSFWRMVTMI-UHFFFAOYSA-N
XLogP1.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid
CID 62827525
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62637175
3-[3-(methoxymethyl)anilino]-2-methylbutanoic acid
CID 79392392
4-[[3-(methoxymethyl)phenyl]carbamoylamino]-2-methylbutanoic acid
CID 80541759
2-[[[3-(methoxymethyl)phenyl]carbamoylamino]methyl]-3-methylbutanoic acid
CID 65220954
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345591
2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
CID 81075773
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid (CID 62637949) is 2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid is COCc1cccc(NC(=O)N(C)C(C)C(=O)O)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid?
The InChIKey is MNYAZSFWRMVTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(12(16)17)15(2)13(18)14-11-6-4-5-10(7-11)8-19-3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid?
2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 62637949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).