5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid

C12H20N2O5 — CID 102688076

IUPAC5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCCCNC(=O)CN(C)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C12H20N2O5/c1-3-6-13-10(15)7-14(2)11(16)8-4-5-9(19-8)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyIPOXRXOSBCZRNT-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.40
Rot. Bonds6

About 5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid

5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688076) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688076
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCCCNC(=O)CN(C)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C12H20N2O5/c1-3-6-13-10(15)7-14(2)11(16)8-4-5-9(19-8)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyIPOXRXOSBCZRNT-UHFFFAOYSA-N
XLogP-0.40
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944423
cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93377032
(2R,5S)-5-[methyl(2-methylprop-2-enyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945722
(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945300
N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxamide
CID 55230155
N-methyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 54868907
4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62808378
2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62776844
1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031058
N,3-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide
CID 102778464
N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide
CID 66266600
4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid (CID 102688076) is 5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid is CCCNC(=O)CN(C)C(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is IPOXRXOSBCZRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-6-13-10(15)7-14(2)11(16)8-4-5-9(19-8)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,15)(H,17,18).
What are the key properties of 5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid?
5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).