4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid

C8H15N3O2 — CID 67156085

IUPAC4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid
SMILES[H]/N=C(\N)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C8H15N3O2/c9-7(10)5-6-1-3-11(4-2-6)8(12)13/h6H,1-5H2,(H3,9,10)(H,12,13)
InChIKeyAPLIGWHHTOQYCK-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.70
Rot. Bonds2

About 4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid

4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid (PubChem CID 67156085) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid
PubChem CID67156085
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid
SMILES[H]/N=C(\N)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C8H15N3O2/c9-7(10)5-6-1-3-11(4-2-6)8(12)13/h6H,1-5H2,(H3,9,10)(H,12,13)
InChIKeyAPLIGWHHTOQYCK-UHFFFAOYSA-N
XLogP0.70
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylate
CID 64426851
Methyl 3-carbamimidoylpiperidine-1-carboxylate
CID 64444097
Acetic acid;4-(4-amino-4-iminobutyl)piperidine-1-carboxylic acid
CID 67155908
Acetic acid;4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid
CID 67156084
Acetic acid;4-(3-amino-3-iminopropyl)piperidine-1-carboxylic acid
CID 67156173
4-Carbamimidoylpiperidine-1-carboxylic acid
CID 69082922
3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylic acid
CID 73854960
4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 87201411
4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid
CID 87489787
3-[(E)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 87680397
(3S)-3-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 87916417
4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid
CID 88867711

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid (CID 67156085) is 4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid is [H]/N=C(\N)CC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid?
The InChIKey is APLIGWHHTOQYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-7(10)5-6-1-3-11(4-2-6)8(12)13/h6H,1-5H2,(H3,9,10)(H,12,13).
What are the key properties of 4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid?
4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid has a molecular weight of 185.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67156085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).