N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide

C13H17N3O3 — CID 62916316

IUPACN'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide
SMILESO=C(CN1CCC(O)C1)NNC(=O)c1ccccc1
InChIInChI=1S/C13H17N3O3/c17-11-6-7-16(8-11)9-12(18)14-15-13(19)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H,14,18)(H,15,19)
InChIKeyPVTFDZFHWZVKNI-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.49
Rot. Bonds3

About N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide

N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide (PubChem CID 62916316) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide
PubChem CID62916316
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide
SMILESO=C(CN1CCC(O)C1)NNC(=O)c1ccccc1
InChIInChI=1S/C13H17N3O3/c17-11-6-7-16(8-11)9-12(18)14-15-13(19)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H,14,18)(H,15,19)
InChIKeyPVTFDZFHWZVKNI-UHFFFAOYSA-N
XLogP-0.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
CID 61295576
N'-[2-(3-methylpiperazin-1-yl)acetyl]benzohydrazide
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N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide
CID 62916480
N'-(2-morpholin-4-ylacetyl)benzohydrazide
CID 8903734
N'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]benzohydrazide
CID 8898901
N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide
CID 78787526
4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide
CID 79031490
ethyl (3S)-1-[2-(2-benzoylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 8531872
N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 51176255
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577
N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 60674119
N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 66262005

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide (CID 62916316) is N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide is O=C(CN1CCC(O)C1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide?
The InChIKey is PVTFDZFHWZVKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11-6-7-16(8-11)9-12(18)14-15-13(19)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H,14,18)(H,15,19).
What are the key properties of N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide?
N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide has a molecular weight of 263.30 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 62916316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).