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

C12H19NO4 — CID 102945282

IUPAC(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCC1CC1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-7-5-8(7)6-13(2)11(14)9-3-4-10(17-9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)/t7?,8?,9-,10+/m0/s1
InChIKeyGTZBHJIOACWIFN-HORUIINNSA-N
MW241.29 g/mol
LogP0.73
Rot. Bonds4

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

(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945282) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945282
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCC1CC1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-7-5-8(7)6-13(2)11(14)9-3-4-10(17-9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)/t7?,8?,9-,10+/m0/s1
InChIKeyGTZBHJIOACWIFN-HORUIINNSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978797
(2R,5S)-5-[methyl(2-methylprop-2-enyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945722
(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944218
(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945243
(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945300
(2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944423
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(2R,5S)-5-[methyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944175
N-methyl-N-[(2-methylcyclopropyl)methyl]acetamide
CID 64592009
(2R,5S)-5-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944882
5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688209
5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688076

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid (CID 102945282) is (2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid is CC1CC1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is GTZBHJIOACWIFN-HORUIINNSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7-5-8(7)6-13(2)11(14)9-3-4-10(17-9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)/t7?,8?,9-,10+/m0/s1.
What are the key properties of (2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).