2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid

C14H26N2O4 — CID 83028212

IUPAC2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid
SMILESCCC(NC(=O)NC1CCOC(CC)(CC)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-11(12(17)18)16-13(19)15-10-7-8-20-14(5-2,6-3)9-10/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyJFQNGFHBVWPVAA-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.89
Rot. Bonds6

About 2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid

2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid (PubChem CID 83028212) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid
PubChem CID83028212
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid
SMILESCCC(NC(=O)NC1CCOC(CC)(CC)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-11(12(17)18)16-13(19)15-10-7-8-20-14(5-2,6-3)9-10/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyJFQNGFHBVWPVAA-UHFFFAOYSA-N
XLogP1.89
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid
CID 83028908
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 83028517
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]hexanoic acid
CID 107146447
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 83028431
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005796
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 83034512
3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
CID 83028921
3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide
CID 114145179

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid?
The IUPAC name of 2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid (CID 83028212) is 2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid is CCC(NC(=O)NC1CCOC(CC)(CC)C1)C(=O)O.
What is the InChIKey of 2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid?
The InChIKey is JFQNGFHBVWPVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-11(12(17)18)16-13(19)15-10-7-8-20-14(5-2,6-3)9-10/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid?
2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 83028212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).