2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid

C14H23NO4 — CID 129468282

IUPAC2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid
SMILESC[C@@H]1CC[C@@H](CCC(=O)N2CCC[C@@H]2CC(=O)O)O1
InChIInChI=1S/C14H23NO4/c1-10-4-5-12(19-10)6-7-13(16)15-8-2-3-11(15)9-14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10-,11-,12+/m1/s1
InChIKeyFLSZZMNFYHOROD-UTUOFQBUSA-N
MW269.34 g/mol
LogP1.80
Rot. Bonds5

About 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid

2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 129468282) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid
PubChem CID129468282
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid
SMILESC[C@@H]1CC[C@@H](CCC(=O)N2CCC[C@@H]2CC(=O)O)O1
InChIInChI=1S/C14H23NO4/c1-10-4-5-12(19-10)6-7-13(16)15-8-2-3-11(15)9-14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10-,11-,12+/m1/s1
InChIKeyFLSZZMNFYHOROD-UTUOFQBUSA-N
XLogP1.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid with MolForge

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Related Compounds

2-[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125153357
2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid
CID 81324861
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
(3S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153948
2-[1-[4-(methylamino)butanoyl]pyrrolidin-2-yl]acetic acid
CID 61371159
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one
CID 119646888
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid
CID 126423639
2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid
CID 129468857
1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 124689756
(2S,3aR,7aS)-1-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125152752
3-amino-1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124692182

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid (CID 129468282) is 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid is C[C@@H]1CC[C@@H](CCC(=O)N2CCC[C@@H]2CC(=O)O)O1.
What is the InChIKey of 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is FLSZZMNFYHOROD-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-4-5-12(19-10)6-7-13(16)15-8-2-3-11(15)9-14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10-,11-,12+/m1/s1.
What are the key properties of 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid?
2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 129468282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).