2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid

C13H17N3O5 — CID 107437327

IUPAC2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid
SMILESCCOc1ccc(NC(=O)N(CC(N)=O)CC(=O)O)cc1
InChIInChI=1S/C13H17N3O5/c1-2-21-10-5-3-9(4-6-10)15-13(20)16(7-11(14)17)8-12(18)19/h3-6H,2,7-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeySVMBFERYMYBOME-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.49
Rot. Bonds7

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

2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid (PubChem CID 107437327) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid
PubChem CID107437327
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid
SMILESCCOc1ccc(NC(=O)N(CC(N)=O)CC(=O)O)cc1
InChIInChI=1S/C13H17N3O5/c1-2-21-10-5-3-9(4-6-10)15-13(20)16(7-11(14)17)8-12(18)19/h3-6H,2,7-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeySVMBFERYMYBOME-UHFFFAOYSA-N
XLogP0.49
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107438347
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid
CID 62329042
2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 107437614
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806
2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid
CID 107435187
2-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820
(4-ethoxyphenyl)carbamoyl hydrogen carbonate
CID 23180192
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid
CID 63180254
3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid
CID 61011178

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid (CID 107437327) is 2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid is CCOc1ccc(NC(=O)N(CC(N)=O)CC(=O)O)cc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid?
The InChIKey is SVMBFERYMYBOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-2-21-10-5-3-9(4-6-10)15-13(20)16(7-11(14)17)8-12(18)19/h3-6H,2,7-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107437327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).