(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid

C13H21N3O5 — CID 83104302

IUPAC(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid
SMILESCNC(=O)C1COCCN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H21N3O5/c1-14-11(17)10-8-21-6-5-16(10)13(20)15-4-2-3-9(7-15)12(18)19/h9-10H,2-8H2,1H3,(H,14,17)(H,18,19)/t9-,10?/m0/s1
InChIKeyUAVGYCFSRPMLAN-RGURZIINSA-N
MW299.33 g/mol
LogP-0.65
Rot. Bonds2

About (3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid (PubChem CID 83104302) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid
PubChem CID83104302
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid
SMILESCNC(=O)C1COCCN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H21N3O5/c1-14-11(17)10-8-21-6-5-16(10)13(20)15-4-2-3-9(7-15)12(18)19/h9-10H,2-8H2,1H3,(H,14,17)(H,18,19)/t9-,10?/m0/s1
InChIKeyUAVGYCFSRPMLAN-RGURZIINSA-N
XLogP-0.65
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 104774795
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 83104275
4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 83104998
2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid
CID 116683560
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid
CID 106588001
4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83098853
(4R)-3-[3-(methylcarbamoyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 103197228
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid
CID 112626971
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid (CID 83104302) is (3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid is CNC(=O)C1COCCN1C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is UAVGYCFSRPMLAN-RGURZIINSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-14-11(17)10-8-21-6-5-16(10)13(20)15-4-2-3-9(7-15)12(18)19/h9-10H,2-8H2,1H3,(H,14,17)(H,18,19)/t9-,10?/m0/s1.
What are the key properties of (3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 83104302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).