2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid

C14H19N3O4 — CID 60838809

IUPAC2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C14H19N3O4/c1-9(2)17(8-13(19)20)7-12(18)16-11-6-4-3-5-10(11)14(15)21/h3-6,9H,7-8H2,1-2H3,(H2,15,21)(H,16,18)(H,19,20)
InChIKeyLUKCYIBFVAURSN-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.52
Rot. Bonds7

About 2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid

2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid (PubChem CID 60838809) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
PubChem CID60838809
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C14H19N3O4/c1-9(2)17(8-13(19)20)7-12(18)16-11-6-4-3-5-10(11)14(15)21/h3-6,9H,7-8H2,1-2H3,(H2,15,21)(H,16,18)(H,19,20)
InChIKeyLUKCYIBFVAURSN-UHFFFAOYSA-N
XLogP0.52
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide
CID 39160595
2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propan-2-ylamino]acetic acid
CID 60839471
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
CID 40760123
3-[[2-(2-bromoanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840353
4-[[2-(2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834112
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid
CID 104875798
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838636
2-aminoacetic acid;2-[(2-hydroxyacetyl)amino]benzamide
CID 175957439
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
CID 60685820

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid (CID 60838809) is 2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)CC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
The InChIKey is LUKCYIBFVAURSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)17(8-13(19)20)7-12(18)16-11-6-4-3-5-10(11)14(15)21/h3-6,9H,7-8H2,1-2H3,(H2,15,21)(H,16,18)(H,19,20).
What are the key properties of 2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60838809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).