4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid

C12H20N2O6 — CID 66253469

IUPAC4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(CC(=O)NC(=O)OC)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O6/c1-3-4-14(5-10(15)13-12(18)19-2)9-7-20-6-8(9)11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeyOHTZBLSOBBFSCT-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.32
Rot. Bonds6

About 4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid

4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 66253469) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid
PubChem CID66253469
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(CC(=O)NC(=O)OC)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O6/c1-3-4-14(5-10(15)13-12(18)19-2)9-7-20-6-8(9)11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeyOHTZBLSOBBFSCT-UHFFFAOYSA-N
XLogP-0.32
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid
CID 66254229
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813
4-[2-hydroxybutyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253439
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-[4-methylsulfanylbutyl(propyl)amino]oxolane-3-carboxylic acid
CID 103090480
4-[propyl(thiolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 107133724
4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254024
4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253874
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid (CID 66253469) is 4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid is CCCN(CC(=O)NC(=O)OC)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is OHTZBLSOBBFSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-3-4-14(5-10(15)13-12(18)19-2)9-7-20-6-8(9)11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18).
What are the key properties of 4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid?
4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66253469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).