4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid

C15H28N2O4 — CID 66254229

IUPAC4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCC(C)NC(=O)CN(CCC)C1COCC1C(=O)O
InChIInChI=1S/C15H28N2O4/c1-4-6-11(3)16-14(18)8-17(7-5-2)13-10-21-9-12(13)15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyMBAITZNBWSCVKX-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.10
Rot. Bonds9

About 4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid

4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 66254229) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid
PubChem CID66254229
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCC(C)NC(=O)CN(CCC)C1COCC1C(=O)O
InChIInChI=1S/C15H28N2O4/c1-4-6-11(3)16-14(18)8-17(7-5-2)13-10-21-9-12(13)15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyMBAITZNBWSCVKX-UHFFFAOYSA-N
XLogP1.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid
CID 66253469
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[2-hydroxybutyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253439
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66235786
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[4-methylsulfanylbutyl(propyl)amino]oxolane-3-carboxylic acid
CID 103090480
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-[methyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
CID 66236014

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid (CID 66254229) is 4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid is CCCC(C)NC(=O)CN(CCC)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is MBAITZNBWSCVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-6-11(3)16-14(18)8-17(7-5-2)13-10-21-9-12(13)15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid?
4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66254229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).