2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid

C13H17N3O5 — CID 107438347

IUPAC2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid
SMILESCCOc1cccc(NC(=O)N(CC(N)=O)CC(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-2-21-10-5-3-4-9(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)
InChIKeyWKBCLXOGMCAKDY-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.49
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid (PubChem CID 107438347) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid
PubChem CID107438347
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid
SMILESCCOc1cccc(NC(=O)N(CC(N)=O)CC(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-2-21-10-5-3-4-9(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)
InChIKeyWKBCLXOGMCAKDY-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)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107437327
2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 107437614
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
2-[carboxymethyl-[(3-ethylphenyl)carbamoyl]amino]acetic acid
CID 63645936
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid
CID 43656055
2-[carboxymethyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]acetic acid
CID 63646129
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
CID 60577561

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid (CID 107438347) is 2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid is CCOc1cccc(NC(=O)N(CC(N)=O)CC(=O)O)c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid?
The InChIKey is WKBCLXOGMCAKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-2-21-10-5-3-4-9(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)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(3-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)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).