(3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid

C12H20N2O4 — CID 104865261

IUPAC(3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1(NC(=O)N2CCC[C@@H](C(=O)O)C2)CCOC1
InChIInChI=1S/C12H20N2O4/c1-12(4-6-18-8-12)13-11(17)14-5-2-3-9(7-14)10(15)16/h9H,2-8H2,1H3,(H,13,17)(H,15,16)/t9-,12?/m1/s1
InChIKeyCPGYTSMEMXJTNS-PKEIRNPWSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds2

About (3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 104865261) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID104865261
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1(NC(=O)N2CCC[C@@H](C(=O)O)C2)CCOC1
InChIInChI=1S/C12H20N2O4/c1-12(4-6-18-8-12)13-11(17)14-5-2-3-9(7-14)10(15)16/h9H,2-8H2,1H3,(H,13,17)(H,15,16)/t9-,12?/m1/s1
InChIKeyCPGYTSMEMXJTNS-PKEIRNPWSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 104866292
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492
(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 81120832
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
(2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 113482253
1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122014061
(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
CID 83020621
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
1-[(2-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 82727888

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 104865261) is (3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid is CC1(NC(=O)N2CCC[C@@H](C(=O)O)C2)CCOC1.
What is the InChIKey of (3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is CPGYTSMEMXJTNS-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(4-6-18-8-12)13-11(17)14-5-2-3-9(7-14)10(15)16/h9H,2-8H2,1H3,(H,13,17)(H,15,16)/t9-,12?/m1/s1.
What are the key properties of (3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 104865261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).