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

C13H20N2O6 — CID 104774795

IUPAC(3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCOC(=O)C1COCCN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H20N2O6/c1-20-12(18)10-8-21-6-5-15(10)13(19)14-4-2-3-9(7-14)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9-,10?/m0/s1
InChIKeyKIXDRCHCUCXNJY-RGURZIINSA-N
MW300.31 g/mol
LogP-0.22
Rot. Bonds2

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

(3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 104774795) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is (3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID104774795
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name(3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCOC(=O)C1COCCN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H20N2O6/c1-20-12(18)10-8-21-6-5-15(10)13(19)14-4-2-3-9(7-14)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9-,10?/m0/s1
InChIKeyKIXDRCHCUCXNJY-RGURZIINSA-N
XLogP-0.22
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid
CID 83104302
4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid
CID 106588001
1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 115535285
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 83104275
methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
CID 113247602
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid (CID 104774795) is (3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid is COC(=O)C1COCCN1C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is KIXDRCHCUCXNJY-RGURZIINSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-20-12(18)10-8-21-6-5-15(10)13(19)14-4-2-3-9(7-14)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9-,10?/m0/s1.
What are the key properties of (3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104774795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).