(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid

C10H18N2O4 — CID 102945300

IUPAC(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCNCCN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H18N2O4/c1-11-5-6-12(2)9(13)7-3-4-8(16-7)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15)/t7-,8+/m0/s1
InChIKeyMTCAQXQBRAFCSO-JGVFFNPUSA-N
MW230.26 g/mol
LogP-0.70
Rot. Bonds5

About (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945300) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945300
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCNCCN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H18N2O4/c1-11-5-6-12(2)9(13)7-3-4-8(16-7)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15)/t7-,8+/m0/s1
InChIKeyMTCAQXQBRAFCSO-JGVFFNPUSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5S)-5-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944882
5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688076
(2R,5S)-5-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945135
(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945282
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815
(2R,5S)-5-[methyl(2-methylprop-2-enyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945722
(2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944423
5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687831
(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945243
(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944218
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944233
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid (CID 102945300) is (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid is CNCCN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is MTCAQXQBRAFCSO-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11-5-6-12(2)9(13)7-3-4-8(16-7)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).