3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid

C13H18N2O4 — CID 62669746

IUPAC3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
SMILESCOc1ccccc1CNC(=O)NCC(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-9(12(16)17)7-14-13(18)15-8-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyHWDNIOCVWBLLLX-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.22
Rot. Bonds6

About 3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid

3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid (PubChem CID 62669746) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
PubChem CID62669746
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
SMILESCOc1ccccc1CNC(=O)NCC(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-9(12(16)17)7-14-13(18)15-8-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyHWDNIOCVWBLLLX-UHFFFAOYSA-N
XLogP1.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111119483
1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111115085
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
4-amino-2-[(2-methoxyphenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 61181353
2-methyl-3-[(2-nitrophenyl)methylcarbamoylamino]propanoic acid
CID 62671354
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide
CID 94178980
methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
CID 4043344

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid (CID 62669746) is 3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid is COc1ccccc1CNC(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid?
The InChIKey is HWDNIOCVWBLLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(12(16)17)7-14-13(18)15-8-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid?
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62669746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).