2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid

C11H22N2O4 — CID 114943610

IUPAC2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
SMILESCCOC(C)(C)CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-6-17-10(2,3)7-12-9(16)13-11(4,5)8(14)15/h6-7H2,1-5H3,(H,14,15)(H2,12,13,16)
InChIKeyPOVYTXRRQSGVIT-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.96
Rot. Bonds6

About 2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid

2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 114943610) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
PubChem CID114943610
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
SMILESCCOC(C)(C)CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-6-17-10(2,3)7-12-9(16)13-11(4,5)8(14)15/h6-7H2,1-5H3,(H,14,15)(H2,12,13,16)
InChIKeyPOVYTXRRQSGVIT-UHFFFAOYSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
CID 61266743
3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 114941755
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474753
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114943563
2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid
CID 114943589
cis-(1R,3S)-3-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320217
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 61481256
3,3,3-trifluoro-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
CID 113450651

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid (CID 114943610) is 2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid is CCOC(C)(C)CNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is POVYTXRRQSGVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-6-17-10(2,3)7-12-9(16)13-11(4,5)8(14)15/h6-7H2,1-5H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid?
2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 114943610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).