1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid

C9H15N3O4 — CID 43385852

IUPAC1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESNC(=O)NC(=O)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C9H15N3O4/c10-9(16)11-7(13)5-12-3-1-2-6(4-12)8(14)15/h6H,1-5H2,(H,14,15)(H3,10,11,13,16)
InChIKeyMODAPJNBWYTHPM-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.02
Rot. Bonds3

About 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid

1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 43385852) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID43385852
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESNC(=O)NC(=O)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C9H15N3O4/c10-9(16)11-7(13)5-12-3-1-2-6(4-12)8(14)15/h6H,1-5H2,(H,14,15)(H3,10,11,13,16)
InChIKeyMODAPJNBWYTHPM-UHFFFAOYSA-N
XLogP-1.02
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylpiperidin-1-yl)-N-carbamoylacetamide
CID 63846142
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 170458411
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026144
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441026
methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79046631
1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64562960
1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid
CID 120679249
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385889
1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
CID 43440872

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid (CID 43385852) is 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid is NC(=O)NC(=O)CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is MODAPJNBWYTHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c10-9(16)11-7(13)5-12-3-1-2-6(4-12)8(14)15/h6H,1-5H2,(H,14,15)(H3,10,11,13,16).
What are the key properties of 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43385852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).