(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid

C7H13N3O3 — CID 21355915

IUPAC(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
SMILESN/C(=N\O)[C@@H]1CCCCN1C(=O)O
InChIInChI=1S/C7H13N3O3/c8-6(9-13)5-3-1-2-4-10(5)7(11)12/h5,13H,1-4H2,(H2,8,9)(H,11,12)/t5-/m0/s1
InChIKeyBUJUFDDIJDTIPE-YFKPBYRVSA-N
MW187.20 g/mol
LogP0.27
Rot. Bonds1

About (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid

(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid (PubChem CID 21355915) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
PubChem CID21355915
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
SMILESN/C(=N\O)[C@@H]1CCCCN1C(=O)O
InChIInChI=1S/C7H13N3O3/c8-6(9-13)5-3-1-2-4-10(5)7(11)12/h5,13H,1-4H2,(H2,8,9)(H,11,12)/t5-/m0/s1
InChIKeyBUJUFDDIJDTIPE-YFKPBYRVSA-N
XLogP0.27
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate
CID 130131589
N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide
CID 77041398
N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide
CID 77041611
N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide
CID 77057582
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368
1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107182819
2-(hydroxycarbamoyl)piperidine-1-carboxylic acid
CID 54289954
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide
CID 79163675
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
CID 76944384

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid (CID 21355915) is (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid is N/C(=N\O)[C@@H]1CCCCN1C(=O)O.
What is the InChIKey of (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid?
The InChIKey is BUJUFDDIJDTIPE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-6(9-13)5-3-1-2-4-10(5)7(11)12/h5,13H,1-4H2,(H2,8,9)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid?
(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 21355915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).