3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid

C15H22N2O3 — CID 106900417

IUPAC3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid
SMILESCCc1ccc(CNC(=O)N(CC)CCC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-3-12-5-7-13(8-6-12)11-16-15(20)17(4-2)10-9-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyOVOFUWVFIDCUHP-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.26
Rot. Bonds7

About 3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid

3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid (PubChem CID 106900417) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid
PubChem CID106900417
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid
SMILESCCc1ccc(CNC(=O)N(CC)CCC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-3-12-5-7-13(8-6-12)11-16-15(20)17(4-2)10-9-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyOVOFUWVFIDCUHP-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
3-[ethyl-[(2-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 64694336
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl-ethylamino]propanoic acid
CID 62533788
3-[ethyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106005415
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670
3-[(2,4-difluorophenyl)methylcarbamoyl-ethylamino]propanoic acid
CID 62227208
3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid
CID 61196356
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
3-[ethyl-[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]propanoic acid
CID 61007114

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid (CID 106900417) is 3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid is CCc1ccc(CNC(=O)N(CC)CCC(=O)O)cc1.
What is the InChIKey of 3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is OVOFUWVFIDCUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-12-5-7-13(8-6-12)11-16-15(20)17(4-2)10-9-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid?
3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 106900417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).