4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid

C15H28N2O4 — CID 66266526

IUPAC4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCCCCN(C(=O)N(C)C1COCC1C(=O)O)C(C)CC
InChIInChI=1S/C15H28N2O4/c1-5-7-8-17(11(3)6-2)15(20)16(4)13-10-21-9-12(13)14(18)19/h11-13H,5-10H2,1-4H3,(H,18,19)
InChIKeyRIVFJWLIGGWDQO-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.04
Rot. Bonds7

About 4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid

4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66266526) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66266526
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCCCCN(C(=O)N(C)C1COCC1C(=O)O)C(C)CC
InChIInChI=1S/C15H28N2O4/c1-5-7-8-17(11(3)6-2)15(20)16(4)13-10-21-9-12(13)14(18)19/h11-13H,5-10H2,1-4H3,(H,18,19)
InChIKeyRIVFJWLIGGWDQO-UHFFFAOYSA-N
XLogP2.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266524
4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267313
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236778
4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267114
4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267696
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267321
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[(2-butylsulfanylacetyl)-methylamino]oxolane-3-carboxylic acid
CID 66235341
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 102865773
4-[methyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
CID 66236014

Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid (CID 66266526) is 4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid is CCCCN(C(=O)N(C)C1COCC1C(=O)O)C(C)CC.
What is the InChIKey of 4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is RIVFJWLIGGWDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-7-8-17(11(3)6-2)15(20)16(4)13-10-21-9-12(13)14(18)19/h11-13H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66266526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).