1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid

C13H21N3O5 — CID 83098763

IUPAC1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)N2CCOCC2C(N)=O)C1
InChIInChI=1S/C13H21N3O5/c1-13(11(18)19)3-2-4-15(8-13)12(20)16-5-6-21-7-9(16)10(14)17/h9H,2-8H2,1H3,(H2,14,17)(H,18,19)
InChIKeyNMWJFARQWHZKJG-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.52
Rot. Bonds2

About 1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid

1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 83098763) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID83098763
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)N2CCOCC2C(N)=O)C1
InChIInChI=1S/C13H21N3O5/c1-13(11(18)19)3-2-4-15(8-13)12(20)16-5-6-21-7-9(16)10(14)17/h9H,2-8H2,1H3,(H2,14,17)(H,18,19)
InChIKeyNMWJFARQWHZKJG-UHFFFAOYSA-N
XLogP-0.52
TPSA113.17 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 ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63148214
2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid
CID 83098734
1-(3-aminooxolane-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 64893003
2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83095359
1-[2-(hydroxymethyl)azepane-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 116635552
2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 107394034
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 64677649
4-(1-cyanocyclobutanecarbonyl)morpholine-3-carboxamide
CID 83102195
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid (CID 83098763) is 1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)N2CCOCC2C(N)=O)C1.
What is the InChIKey of 1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is NMWJFARQWHZKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-13(11(18)19)3-2-4-15(8-13)12(20)16-5-6-21-7-9(16)10(14)17/h9H,2-8H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid?
1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83098763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).