2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid

C15H22N2O3 — CID 79800784

IUPAC2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid
SMILESCCc1ccccc1CNC(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-11-8-6-7-9-12(11)10-16-14(20)17-15(3,5-2)13(18)19/h6-9H,4-5,10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyUCONTUFXTIVPOJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.30
Rot. Bonds6

About 2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid

2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid (PubChem CID 79800784) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid
PubChem CID79800784
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid
SMILESCCc1ccccc1CNC(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-11-8-6-7-9-12(11)10-16-14(20)17-15(3,5-2)13(18)19/h6-9H,4-5,10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyUCONTUFXTIVPOJ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 102615305
2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid
CID 80740415
2-[(4-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 16788213
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106262032
2-[(3-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 16794312
2-methyl-2-(2-phenylsulfanylethylcarbamoylamino)butanoic acid
CID 79211602
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
CID 64693284
1-(2-ethyl-2-hydroxybutyl)-3-[(2-ethylphenyl)methyl]urea
CID 111455827
ethane;1-[(2-ethylphenyl)methyl]-3-methylurea
CID 142017164
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 79801072
(2S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 64694950

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid (CID 79800784) is 2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid is CCc1ccccc1CNC(=O)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid?
The InChIKey is UCONTUFXTIVPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-11-8-6-7-9-12(11)10-16-14(20)17-15(3,5-2)13(18)19/h6-9H,4-5,10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid?
2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79800784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).