2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid

C13H18N2O4 — CID 62002689

IUPAC2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)c1ccc(OC)cc1
InChIInChI=1S/C13H18N2O4/c1-4-15(9-12(16)17)13(18)14(2)10-5-7-11(19-3)8-6-10/h5-8H,4,9H2,1-3H3,(H,16,17)
InChIKeySPEVTKNJIPEBJB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.66
Rot. Bonds5

About 2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid

2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid (PubChem CID 62002689) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
PubChem CID62002689
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)c1ccc(OC)cc1
InChIInChI=1S/C13H18N2O4/c1-4-15(9-12(16)17)13(18)14(2)10-5-7-11(19-3)8-6-10/h5-8H,4,9H2,1-3H3,(H,16,17)
InChIKeySPEVTKNJIPEBJB-UHFFFAOYSA-N
XLogP1.66
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 63644464
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269819
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 54900940
2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
CID 55133981
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
2-[ethyl-[3-(4-methoxyphenyl)sulfanylpropanoyl]amino]acetic acid
CID 119205945
2-(N-butanoyl-4-methoxyanilino)acetic acid
CID 28765925
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid (CID 62002689) is 2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N(C)c1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid?
The InChIKey is SPEVTKNJIPEBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-15(9-12(16)17)13(18)14(2)10-5-7-11(19-3)8-6-10/h5-8H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid?
2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 62002689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).