2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid

C13H17N3O4 — CID 61012683

IUPAC2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17N3O4/c1-2-16(8-12(18)19)7-11(17)15-10-5-3-9(4-6-10)13(14)20/h3-6H,2,7-8H2,1H3,(H2,14,20)(H,15,17)(H,18,19)
InChIKeyGPMYLJADALFOJX-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.13
Rot. Bonds7

About 2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid

2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid (PubChem CID 61012683) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
PubChem CID61012683
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17N3O4/c1-2-16(8-12(18)19)7-11(17)15-10-5-3-9(4-6-10)13(14)20/h3-6H,2,7-8H2,1H3,(H2,14,20)(H,15,17)(H,18,19)
InChIKeyGPMYLJADALFOJX-UHFFFAOYSA-N
XLogP0.13
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-carbamoylanilino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79269757
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide
CID 60729665
4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36638223
2-[2-aminoethyl(ethyl)amino]-N-phenylacetamide
CID 61348942
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide
CID 66593690
4-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36639429
N-(4-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448483
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid (CID 61012683) is 2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid is CCN(CC(=O)O)CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid?
The InChIKey is GPMYLJADALFOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-16(8-12(18)19)7-11(17)15-10-5-3-9(4-6-10)13(14)20/h3-6H,2,7-8H2,1H3,(H2,14,20)(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid?
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid is sourced from PubChem (CID 61012683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).