3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid

C13H18N2O4 — CID 55105416

IUPAC3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCOc1cccc(N(C)C(=O)NCC(C)C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-9(12(16)17)8-14-13(18)15(2)10-5-4-6-11(7-10)19-3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyFKDFAQZDYBOKLY-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.56
Rot. Bonds5

About 3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid

3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 55105416) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID55105416
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCOc1cccc(N(C)C(=O)NCC(C)C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-9(12(16)17)8-14-13(18)15(2)10-5-4-6-11(7-10)19-3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyFKDFAQZDYBOKLY-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 66165933
(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 80757234
3-[2-(3-methoxyphenoxy)propylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122004022
2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 62002684
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106110058
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
3-[[(4-cyanophenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62983203
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid (CID 55105416) is 3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid is COc1cccc(N(C)C(=O)NCC(C)C(=O)O)c1.
What is the InChIKey of 3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is FKDFAQZDYBOKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(12(16)17)8-14-13(18)15(2)10-5-4-6-11(7-10)19-3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55105416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).