(2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid

C12H18N2O5 — CID 102944423

IUPAC(2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCN(CC(=O)NC1CC1)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H18N2O5/c1-14(6-10(15)13-7-2-3-7)11(16)8-4-5-9(19-8)12(17)18/h7-9H,2-6H2,1H3,(H,13,15)(H,17,18)/t8-,9+/m0/s1
InChIKeyCEWOBNTUXWRJOA-DTWKUNHWSA-N
MW270.28 g/mol
LogP-0.64
Rot. Bonds5

About (2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944423) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102944423
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name(2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCN(CC(=O)NC1CC1)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H18N2O5/c1-14(6-10(15)13-7-2-3-7)11(16)8-4-5-9(19-8)12(17)18/h7-9H,2-6H2,1H3,(H,13,15)(H,17,18)/t8-,9+/m0/s1
InChIKeyCEWOBNTUXWRJOA-DTWKUNHWSA-N
XLogP-0.64
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688076
(2R,5S)-5-[methyl(2-methylprop-2-enyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945722
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 43579064
(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945300
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 43579066
(2R,5S)-5-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944882
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945243
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66241556
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide
CID 76944463

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid (CID 102944423) is (2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid is CN(CC(=O)NC1CC1)C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is CEWOBNTUXWRJOA-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-14(6-10(15)13-7-2-3-7)11(16)8-4-5-9(19-8)12(17)18/h7-9H,2-6H2,1H3,(H,13,15)(H,17,18)/t8-,9+/m0/s1.
What are the key properties of (2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).