1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid

C11H19N3O4 — CID 43440872

IUPAC1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCNC(=O)NC(=O)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-12-11(18)13-9(15)4-6-14-5-2-3-8(7-14)10(16)17/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,15,18)
InChIKeyDCYCJIZHRXXBRZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.37
Rot. Bonds4

About 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid

1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid (PubChem CID 43440872) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
PubChem CID43440872
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCNC(=O)NC(=O)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-12-11(18)13-9(15)4-6-14-5-2-3-8(7-14)10(16)17/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,15,18)
InChIKeyDCYCJIZHRXXBRZ-UHFFFAOYSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carbonyl]amino]ethyl]carbamate
CID 48944041
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119905056
(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94821180
methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
CID 60728436
1-(3,3-difluorobutyl)piperidine-3-carboxylic acid
CID 84686575
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385852
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 51728561
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 55216877
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid (CID 43440872) is 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid is CNC(=O)NC(=O)CCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid?
The InChIKey is DCYCJIZHRXXBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-12-11(18)13-9(15)4-6-14-5-2-3-8(7-14)10(16)17/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,15,18).
What are the key properties of 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid?
1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).