3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid

C15H22N2O3 — CID 106900482

IUPAC3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCc1ccc(CNC(=O)N(C)CC(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-4-12-5-7-13(8-6-12)9-16-15(20)17(3)10-11(2)14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyFWZWGVCIWVZHOV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.11
Rot. Bonds6

About 3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid

3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 106900482) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID106900482
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCc1ccc(CNC(=O)N(C)CC(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-4-12-5-7-13(8-6-12)9-16-15(20)17(3)10-11(2)14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyFWZWGVCIWVZHOV-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 64694951
3-[(3-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 55007271
3-[[4-(3-methoxypropoxy)phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122013930
2-methyl-3-[methyl-[(3-methylphenyl)methylcarbamoyl]amino]propanoic acid
CID 55007666
3-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122002239
2-methyl-3-[methyl-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]amino]propanoic acid
CID 122007538
4-[[[methyl(2-methylbutyl)carbamoyl]amino]methyl]benzoic acid
CID 61197404
3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010216
2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid
CID 62692283
3-[(2-butan-2-yloxy-4-pyridinyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122009244
3-[[3-(dimethylsulfamoyl)phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122009600
3-[(2-methoxy-4-pyridinyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62994020

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 106900482) is 3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid is CCc1ccc(CNC(=O)N(C)CC(C)C(=O)O)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is FWZWGVCIWVZHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-12-5-7-13(8-6-12)9-16-15(20)17(3)10-11(2)14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 106900482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).