2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid

C14H20N2O3 — CID 61193945

IUPAC2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
SMILESCCN(C(=O)NC(C(=O)O)c1ccccc1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-4-16(10(2)3)14(19)15-12(13(17)18)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyGOTSWHCYGYNBAN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.25
Rot. Bonds5

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

2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 61193945) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID61193945
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
SMILESCCN(C(=O)NC(C(=O)O)c1ccccc1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-4-16(10(2)3)14(19)15-12(13(17)18)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyGOTSWHCYGYNBAN-UHFFFAOYSA-N
XLogP2.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 104899000
2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444788
2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444799
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid
CID 119372250
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
(2S)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889
2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444742
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61465982

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid (CID 61193945) is 2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid is CCN(C(=O)NC(C(=O)O)c1ccccc1)C(C)C.
What is the InChIKey of 2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is GOTSWHCYGYNBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-16(10(2)3)14(19)15-12(13(17)18)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid?
2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 61193945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).