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

C9H15N3O4 — CID 43441026

IUPAC1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESNC(=O)NC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C9H15N3O4/c10-9(16)11-7(13)5-12-4-2-1-3-6(12)8(14)15/h6H,1-5H2,(H,14,15)(H3,10,11,13,16)
InChIKeyDJFIHOSTEFXDEN-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.88
Rot. Bonds3

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

1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 43441026) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID43441026
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESNC(=O)NC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C9H15N3O4/c10-9(16)11-7(13)5-12-4-2-1-3-6(12)8(14)15/h6H,1-5H2,(H,14,15)(H3,10,11,13,16)
InChIKeyDJFIHOSTEFXDEN-UHFFFAOYSA-N
XLogP-0.88
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 ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64562960
1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899672
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
1-[2-(azocan-1-yl)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564718
1-[2-oxo-2-(propylamino)ethyl]azepane-2-carboxylic acid
CID 64564538
1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid
CID 61489667
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 122558058
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385852
1-[2-oxo-2-(prop-2-enylamino)ethyl]azepane-2-carboxylic acid
CID 64562180

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid (CID 43441026) is 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid is NC(=O)NC(=O)CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is DJFIHOSTEFXDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c10-9(16)11-7(13)5-12-4-2-1-3-6(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-2-carboxylic acid?
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of -0.88, 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-2-carboxylic acid is sourced from PubChem (CID 43441026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).