2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid

C14H20N2O4 — CID 61417680

IUPAC2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(CN(C)C(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,12(17)18)15-13(19)16(3)9-10-5-7-11(20-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeySVXIMQMJCWRBOB-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.70
Rot. Bonds5

About 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid

2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 61417680) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID61417680
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(CN(C)C(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,12(17)18)15-13(19)16(3)9-10-5-7-11(20-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeySVXIMQMJCWRBOB-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 61266937
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
3-[3-(2,2-dimethylpropyl)cyclobutyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 164979958
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
CID 87007745
3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide
CID 61418008
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 107566389

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid (CID 61417680) is 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid is COc1ccc(CN(C)C(=O)NC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is SVXIMQMJCWRBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,12(17)18)15-13(19)16(3)9-10-5-7-11(20-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid?
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61417680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).