2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid

C11H17NO4 — CID 104892399

IUPAC2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C11H17NO4/c1-7(11(14)15)8-5-12(6-8)10(13)9-3-2-4-16-9/h7-9H,2-6H2,1H3,(H,14,15)/t7?,9-/m0/s1
InChIKeyFQDVXTZJSSLMNA-NETXQHHPSA-N
MW227.26 g/mol
LogP0.34
Rot. Bonds3

About 2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid

2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid (PubChem CID 104892399) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
PubChem CID104892399
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C11H17NO4/c1-7(11(14)15)8-5-12(6-8)10(13)9-3-2-4-16-9/h7-9H,2-6H2,1H3,(H,14,15)/t7?,9-/m0/s1
InChIKeyFQDVXTZJSSLMNA-NETXQHHPSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
CID 104855870
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 104856276
(3,5-dimethylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 63863884
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126892184
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
(3,4-dihydroxypyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 106671015
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 79403349
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[4-(1-bromoethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 106839160
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid (CID 104892399) is 2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)[C@@H]2CCCO2)C1.
What is the InChIKey of 2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid?
The InChIKey is FQDVXTZJSSLMNA-NETXQHHPSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7(11(14)15)8-5-12(6-8)10(13)9-3-2-4-16-9/h7-9H,2-6H2,1H3,(H,14,15)/t7?,9-/m0/s1.
What are the key properties of 2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid?
2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid has a molecular weight of 227.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 104892399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).