(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid

C14H23NO5 — CID 119371915

IUPAC(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(OCC1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H23NO5/c1-10(20-9-11-5-2-3-8-19-11)13(16)15-7-4-6-12(15)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10?,11?,12-/m1/s1
InChIKeyUEQRJEIOZSWZMW-HTAVTVPLSA-N
MW285.34 g/mol
LogP1.04
Rot. Bonds5

About (2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371915) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119371915
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(OCC1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H23NO5/c1-10(20-9-11-5-2-3-8-19-11)13(16)15-7-4-6-12(15)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10?,11?,12-/m1/s1
InChIKeyUEQRJEIOZSWZMW-HTAVTVPLSA-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

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Related Compounds

(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125150368
(2S)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 129427663
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 100865014
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95348972
(2S)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365990
(2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371802
1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119381744
1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one
CID 167981032
(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
CID 100858205
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 96999340
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
CID 100899754

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid (CID 119371915) is (2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid is CC(OCC1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UEQRJEIOZSWZMW-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H23NO5/c1-10(20-9-11-5-2-3-8-19-11)13(16)15-7-4-6-12(15)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(oxan-2-ylmethoxy)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)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).