3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid

C14H23NO4 — CID 104855870

IUPAC3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C14H23NO4/c1-10(8-13(16)17)11-4-2-6-15(9-11)14(18)12-5-3-7-19-12/h10-12H,2-9H2,1H3,(H,16,17)/t10?,11?,12-/m0/s1
InChIKeyWZNUVZUKGUQVBR-MCIGGMRASA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds4

About 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid

3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid (PubChem CID 104855870) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
PubChem CID104855870
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C14H23NO4/c1-10(8-13(16)17)11-4-2-6-15(9-11)14(18)12-5-3-7-19-12/h10-12H,2-9H2,1H3,(H,16,17)/t10?,11?,12-/m0/s1
InChIKeyWZNUVZUKGUQVBR-MCIGGMRASA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[2-(oxan-2-yl)acetyl]piperidin-3-yl]butanoic acid
CID 81043092
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104892399
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81042258
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
CID 81046858
3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 82731394

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid (CID 104855870) is 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)[C@@H]2CCCO2)C1.
What is the InChIKey of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid?
The InChIKey is WZNUVZUKGUQVBR-MCIGGMRASA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(8-13(16)17)11-4-2-6-15(9-11)14(18)12-5-3-7-19-12/h10-12H,2-9H2,1H3,(H,16,17)/t10?,11?,12-/m0/s1.
What are the key properties of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid?
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 104855870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).