2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid

C15H22N2O3 — CID 61189710

IUPAC2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Nc1ccccc1CC)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-10-15(3,13(18)19)17-14(20)16-12-9-7-6-8-11(12)5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyAYGJHEXTDVIRRY-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.01
Rot. Bonds6

About 2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid

2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid (PubChem CID 61189710) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
PubChem CID61189710
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Nc1ccccc1CC)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-10-15(3,13(18)19)17-14(20)16-12-9-7-6-8-11(12)5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyAYGJHEXTDVIRRY-UHFFFAOYSA-N
XLogP3.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylanilino)-2-methylpentanoic acid
CID 114992150
2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 43619154
2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
CID 61187475
2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid
CID 62535532
4-(2-ethylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297764
1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
CID 43602424
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
2-anilino-2-methylpentanoic acid
CID 60992039
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61182733
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea
CID 113216326
N-(2-ethylphenyl)-2-methyl-2-phenylpropanamide
CID 8839434

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid (CID 61189710) is 2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)Nc1ccccc1CC)C(=O)O.
What is the InChIKey of 2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid?
The InChIKey is AYGJHEXTDVIRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-10-15(3,13(18)19)17-14(20)16-12-9-7-6-8-11(12)5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid?
2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 61189710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).