(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid

C14H23NO5 — CID 129470132

IUPAC(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@]1(C)C(=O)O
InChIInChI=1S/C14H23NO5/c1-10(20-9-11-5-3-8-19-11)12(16)15-7-4-6-14(15,2)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)/t10-,11+,14+/m0/s1
InChIKeyAJOBEOWXYPDJDA-MISXGVKJSA-N
MW285.34 g/mol
LogP1.04
Rot. Bonds5

About (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid

(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 129470132) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID129470132
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@]1(C)C(=O)O
InChIInChI=1S/C14H23NO5/c1-10(20-9-11-5-3-8-19-11)12(16)15-7-4-6-14(15,2)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)/t10-,11+,14+/m0/s1
InChIKeyAJOBEOWXYPDJDA-MISXGVKJSA-N
XLogP1.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 119257371
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125150368
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371915
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 126834324
1-[2-(oxan-2-ylmethoxy)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169175
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787
(2S)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 129427663

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid (CID 129470132) is (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid is C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@]1(C)C(=O)O.
What is the InChIKey of (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AJOBEOWXYPDJDA-MISXGVKJSA-N. The full InChI is InChI=1S/C14H23NO5/c1-10(20-9-11-5-3-8-19-11)12(16)15-7-4-6-14(15,2)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)/t10-,11+,14+/m0/s1.
What are the key properties of (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 129470132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).