4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid

C14H20N2O4 — CID 66001204

IUPAC4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCCc1ccccc1NC(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-10-6-4-5-7-11(10)16-13(19)15-9-14(2,20)8-12(17)18/h4-7,20H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyLWAVSQRFVFCXBY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.60
Rot. Bonds6

About 4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid

4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66001204) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66001204
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCCc1ccccc1NC(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-10-6-4-5-7-11(10)16-13(19)15-9-14(2,20)8-12(17)18/h4-7,20H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyLWAVSQRFVFCXBY-UHFFFAOYSA-N
XLogP1.60
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001350
3-hydroxy-3-methyl-4-[(2-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 107642376
4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002599
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120487
4-[(2-cyano-3-methylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 107799923
4-[(2-bromophenyl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001216
4-[(2-fluoro-4-methylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002794
4-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002615
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731
3-hydroxy-3-methyl-4-(2-phenylethylcarbamoylamino)butanoic acid
CID 66002791
3-hydroxy-3-methyl-4-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 66002915
4-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001200

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid (CID 66001204) is 4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid is CCc1ccccc1NC(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is LWAVSQRFVFCXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-10-6-4-5-7-11(10)16-13(19)15-9-14(2,20)8-12(17)18/h4-7,20H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66001204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).