(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid

C13H21NO5 — CID 129466161

IUPAC(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
SMILESC[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H21NO5/c1-9(19-8-11-3-2-6-18-11)12(15)14-5-4-10(7-14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1
InChIKeyUYAAWOHFAGTJQT-AXFHLTTASA-N
MW271.31 g/mol
LogP0.50
Rot. Bonds5

About (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 129466161) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID129466161
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
SMILESC[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H21NO5/c1-9(19-8-11-3-2-6-18-11)12(15)14-5-4-10(7-14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1
InChIKeyUYAAWOHFAGTJQT-AXFHLTTASA-N
XLogP0.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 119257371
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
CID 100899754
1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119381744
(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125150368
(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371915
(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 124689535
(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 129470132
1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 126834324
(2S)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 129461447

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid (CID 129466161) is (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid is C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UYAAWOHFAGTJQT-AXFHLTTASA-N. The full InChI is InChI=1S/C13H21NO5/c1-9(19-8-11-3-2-6-18-11)12(15)14-5-4-10(7-14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1.
What are the key properties of (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129466161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).