2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid

C12H14N2O4 — CID 21444799

IUPAC2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCCN(C=O)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H14N2O4/c1-2-14(8-15)12(18)13-10(11(16)17)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,13,18)(H,16,17)
InChIKeyKMZNJUJXPRXACV-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.00
Rot. Bonds5

About 2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid

2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 21444799) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID21444799
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCCN(C=O)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H14N2O4/c1-2-14(8-15)12(18)13-10(11(16)17)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,13,18)(H,16,17)
InChIKeyKMZNJUJXPRXACV-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444788
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
(2S)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444873
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889
(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 104899000
(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid
CID 119372250

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid (CID 21444799) is 2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid is CCN(C=O)C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is KMZNJUJXPRXACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-14(8-15)12(18)13-10(11(16)17)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid?
2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 250.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 21444799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).