4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid

C14H24N2O4 — CID 115292961

IUPAC4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCCCCN(C(=O)NC1(C(=O)O)CCOCC1)C1CC1
InChIInChI=1S/C14H24N2O4/c1-2-3-8-16(11-4-5-11)13(19)15-14(12(17)18)6-9-20-10-7-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyWIKAWWCUSKHTIM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.59
Rot. Bonds6

About 4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid

4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid (PubChem CID 115292961) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
PubChem CID115292961
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCCCCN(C(=O)NC1(C(=O)O)CCOCC1)C1CC1
InChIInChI=1S/C14H24N2O4/c1-2-3-8-16(11-4-5-11)13(19)15-14(12(17)18)6-9-20-10-7-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyWIKAWWCUSKHTIM-UHFFFAOYSA-N
XLogP1.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[butyl(cyclopropyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61443998
4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292842
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292782
4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
CID 82742829
1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61452408
4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115293053
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434120
1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102865658
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257
1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 54997563

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid (CID 115292961) is 4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid is CCCCN(C(=O)NC1(C(=O)O)CCOCC1)C1CC1.
What is the InChIKey of 4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid?
The InChIKey is WIKAWWCUSKHTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-3-8-16(11-4-5-11)13(19)15-14(12(17)18)6-9-20-10-7-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid?
4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).