(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid

C12H19NO4 — CID 81120832

IUPAC(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC[C@H](C(=O)O)C2)CCCO1
InChIInChI=1S/C12H19NO4/c1-12(5-3-7-17-12)11(16)13-6-2-4-9(8-13)10(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-,12?/m0/s1
InChIKeyQRWQIUOPOGFSJH-QHGLUPRGSA-N
MW241.29 g/mol
LogP0.88
Rot. Bonds2

About (3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81120832) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID81120832
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC[C@H](C(=O)O)C2)CCCO1
InChIInChI=1S/C12H19NO4/c1-12(5-3-7-17-12)11(16)13-6-2-4-9(8-13)10(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-,12?/m0/s1
InChIKeyQRWQIUOPOGFSJH-QHGLUPRGSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 81120844
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
CID 114945682
(3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 104865261
(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 107000484
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid (CID 81120832) is (3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid is CC1(C(=O)N2CCC[C@H](C(=O)O)C2)CCCO1.
What is the InChIKey of (3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is QRWQIUOPOGFSJH-QHGLUPRGSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(5-3-7-17-12)11(16)13-6-2-4-9(8-13)10(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-,12?/m0/s1.
What are the key properties of (3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).