1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid

C11H19N3O4 — CID 43440976

IUPAC1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
SMILESCNC(=O)NC(=O)C(C)N1CCCCC1C(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(9(15)13-11(18)12-2)14-6-4-3-5-8(14)10(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)(H2,12,13,15,18)
InChIKeyHHKXSYUBKWIYFE-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds3

About 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid

1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid (PubChem CID 43440976) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
PubChem CID43440976
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
SMILESCNC(=O)NC(=O)C(C)N1CCCCC1C(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(9(15)13-11(18)12-2)14-6-4-3-5-8(14)10(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)(H2,12,13,15,18)
InChIKeyHHKXSYUBKWIYFE-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid
CID 54899679
tert-butyl (2S)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537272
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
CID 64564332
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
2-(4-amino-2-methylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 115313018
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 62469409
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid (CID 43440976) is 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid is CNC(=O)NC(=O)C(C)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid?
The InChIKey is HHKXSYUBKWIYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(9(15)13-11(18)12-2)14-6-4-3-5-8(14)10(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)(H2,12,13,15,18).
What are the key properties of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid?
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43440976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).