4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

C13H21N3O5 — CID 66235535

IUPAC4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C1CCCN(C(N)=O)C1)C1COCC1C(=O)O
InChIInChI=1S/C13H21N3O5/c1-15(10-7-21-6-9(10)12(18)19)11(17)8-3-2-4-16(5-8)13(14)20/h8-10H,2-7H2,1H3,(H2,14,20)(H,18,19)
InChIKeyDJXUXNWQXZJYPW-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.66
Rot. Bonds3

About 4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66235535) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66235535
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C1CCCN(C(N)=O)C1)C1COCC1C(=O)O
InChIInChI=1S/C13H21N3O5/c1-15(10-7-21-6-9(10)12(18)19)11(17)8-3-2-4-16(5-8)13(14)20/h8-10H,2-7H2,1H3,(H2,14,20)(H,18,19)
InChIKeyDJXUXNWQXZJYPW-UHFFFAOYSA-N
XLogP-0.66
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66236830
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235925
4-[azepan-1-ylsulfonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235556
4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66266137
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
(3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 96512803
2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802821
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81126290

Frequently Asked Questions

What is the IUPAC name of 4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 66235535) is 4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is CN(C(=O)C1CCCN(C(N)=O)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is DJXUXNWQXZJYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-15(10-7-21-6-9(10)12(18)19)11(17)8-3-2-4-16(5-8)13(14)20/h8-10H,2-7H2,1H3,(H2,14,20)(H,18,19).
What are the key properties of 4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).