2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid

C12H16N2O4 — CID 82499428

IUPAC2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
SMILESCCc1ccc(OC)c(NC(=O)NCC(=O)O)c1
InChIInChI=1S/C12H16N2O4/c1-3-8-4-5-10(18-2)9(6-8)14-12(17)13-7-11(15)16/h4-6H,3,7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyWADKTLXLWFHREN-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.46
Rot. Bonds5

About 2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid

2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid (PubChem CID 82499428) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
PubChem CID82499428
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
SMILESCCc1ccc(OC)c(NC(=O)NCC(=O)O)c1
InChIInChI=1S/C12H16N2O4/c1-3-8-4-5-10(18-2)9(6-8)14-12(17)13-7-11(15)16/h4-6H,3,7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyWADKTLXLWFHREN-UHFFFAOYSA-N
XLogP1.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
CID 82501882
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide
CID 115187160
2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
CID 82502059
2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
CID 18383
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-4-methoxybenzoic acid
CID 63744645
5-(5-ethyl-2-methoxyanilino)pentanoic acid
CID 115218873
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide
CID 115174937
1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 155694044

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid (CID 82499428) is 2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid is CCc1ccc(OC)c(NC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid?
The InChIKey is WADKTLXLWFHREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-8-4-5-10(18-2)9(6-8)14-12(17)13-7-11(15)16/h4-6H,3,7H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid?
2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 82499428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).