2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid

C12H16N2O4 — CID 43318374

IUPAC2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
SMILESCCOc1ccc(NC(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C12H16N2O4/c1-3-18-10-6-4-9(5-7-10)13-12(17)14(2)8-11(15)16/h4-7H,3,8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyHCRWQGMTXLNYCM-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.63
Rot. Bonds5

About 2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid

2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid (PubChem CID 43318374) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
PubChem CID43318374
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
SMILESCCOc1ccc(NC(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C12H16N2O4/c1-3-18-10-6-4-9(5-7-10)13-12(17)14(2)8-11(15)16/h4-7H,3,8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyHCRWQGMTXLNYCM-UHFFFAOYSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
CID 43318594
2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107437327
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806
3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid
CID 61011178
2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772899
2-[[(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[2-(4-ethoxyanilino)-2-oxoethyl]amino]acetic acid
CID 162361946
2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid
CID 62329042
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-(4-ethoxyphenyl)-1-methylurea
CID 42708909
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
(4-ethoxyphenyl)carbamoyl hydrogen carbonate
CID 23180192
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid (CID 43318374) is 2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid is CCOc1ccc(NC(=O)N(C)CC(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid?
The InChIKey is HCRWQGMTXLNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-18-10-6-4-9(5-7-10)13-12(17)14(2)8-11(15)16/h4-7H,3,8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid?
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 43318374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).