(2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid

C15H20N4O5 — CID 155234319

IUPAC(2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
SMILESNNC(=O)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CN1C(=O)O
InChIInChI=1S/C15H20N4O5/c16-18-13(20)12-7-6-11(8-19(12)15(22)23)17-14(21)24-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2,(H,17,21)(H,18,20)(H,22,23)/t11-,12+/m0/s1
InChIKeyLEABQHLBJQXPKQ-NWDGAFQWSA-N
MW336.35 g/mol
LogP0.41
Rot. Bonds4

About (2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid

(2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid (PubChem CID 155234319) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is (2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
PubChem CID155234319
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name(2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
SMILESNNC(=O)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CN1C(=O)O
InChIInChI=1S/C15H20N4O5/c16-18-13(20)12-7-6-11(8-19(12)15(22)23)17-14(21)24-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2,(H,17,21)(H,18,20)(H,22,23)/t11-,12+/m0/s1
InChIKeyLEABQHLBJQXPKQ-NWDGAFQWSA-N
XLogP0.41
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
CID 175472031
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
tert-butyl (2R,5S)-5-(phenylmethoxycarbonylamino)-2-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]piperidine-1-carboxylate
CID 155245658
benzyl (6S)-3-fluoro-6-(phenylmethoxycarbonylamino)azepane-1-carboxylate
CID 155622687
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid?
The IUPAC name of (2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid (CID 155234319) is (2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for (2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid?
The canonical SMILES for (2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid is NNC(=O)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CN1C(=O)O.
What is the InChIKey of (2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid?
The InChIKey is LEABQHLBJQXPKQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H20N4O5/c16-18-13(20)12-7-6-11(8-19(12)15(22)23)17-14(21)24-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2,(H,17,21)(H,18,20)(H,22,23)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid?
(2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 155234319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).