2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid

C12H19NO4 — CID 138028545

IUPAC2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CC[C@H](C(=O)N2CCCC2(C)C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-8-4-5-9(17-8)10(14)13-7-3-6-12(13,2)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)/t8-,9-,12?/m1/s1
InChIKeyMDTLMPWAHMERFV-LSLJNABFSA-N
MW241.29 g/mol
LogP1.02
Rot. Bonds2

About 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 138028545) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID138028545
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CC[C@H](C(=O)N2CCCC2(C)C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-8-4-5-9(17-8)10(14)13-7-3-6-12(13,2)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)/t8-,9-,12?/m1/s1
InChIKeyMDTLMPWAHMERFV-LSLJNABFSA-N
XLogP1.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-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

2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 104595183
2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076202
2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79759504
3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 114085090
1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107000430
1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79527352
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064
2-methyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 103871068
1-(4,4-difluorocyclohexanecarbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594727
(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 103773754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 138028545) is 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid is C[C@@H]1CC[C@H](C(=O)N2CCCC2(C)C(=O)O)O1.
What is the InChIKey of 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MDTLMPWAHMERFV-LSLJNABFSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8-4-5-9(17-8)10(14)13-7-3-6-12(13,2)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)/t8-,9-,12?/m1/s1.
What are the key properties of 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 138028545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).