3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid

C15H22N2O4 — CID 66195659

IUPAC3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(C(C)NC(=O)N(C)CC(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-10(14(18)19)9-17(3)15(20)16-11(2)12-5-7-13(21-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyYJTOONWIMNRLQM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.12
Rot. Bonds6

About 3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid

3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 66195659) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID66195659
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(C(C)NC(=O)N(C)CC(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-10(14(18)19)9-17(3)15(20)16-11(2)12-5-7-13(21-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyYJTOONWIMNRLQM-UHFFFAOYSA-N
XLogP2.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]carbamoyl]amino]propanoic acid
CID 122011647
3-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122008787
3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000754
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228886
2-methyl-3-[methyl-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]amino]propanoic acid
CID 122011422
3-[bis(3-methoxyphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122005019
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127
3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
4-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498878
3-[[1-(4-bromophenyl)-1-methoxypropan-2-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122008933
3-[2-(3-methoxyphenoxy)propylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122004022
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 66195659) is 3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid is COc1ccc(C(C)NC(=O)N(C)CC(C)C(=O)O)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is YJTOONWIMNRLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(14(18)19)9-17(3)15(20)16-11(2)12-5-7-13(21-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 66195659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).