(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid

C11H18N2O4 — CID 81126290

IUPAC(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid
SMILESNC1COCC1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H18N2O4/c12-9-6-17-5-8(9)10(14)13-3-1-2-7(4-13)11(15)16/h7-9H,1-6,12H2,(H,15,16)/t7-,8?,9?/m0/s1
InChIKeySBQQBKCEWZMCKF-UEJVZZJDSA-N
MW242.27 g/mol
LogP-0.72
Rot. Bonds2

About (3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81126290) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID81126290
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid
SMILESNC1COCC1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H18N2O4/c12-9-6-17-5-8(9)10(14)13-3-1-2-7(4-13)11(15)16/h7-9H,1-6,12H2,(H,15,16)/t7-,8?,9?/m0/s1
InChIKeySBQQBKCEWZMCKF-UEJVZZJDSA-N
XLogP-0.72
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxolan-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 66239793
2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid
CID 66235676
(3R)-1-[(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 100629246
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 66236076
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
(3S)-1-(1,4-dioxane-2-carbonyl)piperidine-3-carboxylic acid
CID 81125447
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(4-aminooxolan-3-yl)-cyclohexylmethanone
CID 116587386
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
(4-aminooxolan-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 66236454

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid (CID 81126290) is (3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid is NC1COCC1C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is SBQQBKCEWZMCKF-UEJVZZJDSA-N. The full InChI is InChI=1S/C11H18N2O4/c12-9-6-17-5-8(9)10(14)13-3-1-2-7(4-13)11(15)16/h7-9H,1-6,12H2,(H,15,16)/t7-,8?,9?/m0/s1.
What are the key properties of (3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81126290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).