N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide

C14H19N3O3 — CID 66262005

IUPACN'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCC[C@@H]1CO)NNC(=O)c1ccccc1
InChIInChI=1S/C14H19N3O3/c18-10-12-7-4-8-17(12)9-13(19)15-16-14(20)11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2,(H,15,19)(H,16,20)/t12-/m1/s1
InChIKeyLMEFHIJINNGTKS-GFCCVEGCSA-N
MW277.32 g/mol
LogP-0.10
Rot. Bonds4

About N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide

N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide (PubChem CID 66262005) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide
PubChem CID66262005
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCC[C@@H]1CO)NNC(=O)c1ccccc1
InChIInChI=1S/C14H19N3O3/c18-10-12-7-4-8-17(12)9-13(19)15-16-14(20)11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2,(H,15,19)(H,16,20)/t12-/m1/s1
InChIKeyLMEFHIJINNGTKS-GFCCVEGCSA-N
XLogP-0.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.10
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-[2-(hydroxymethyl)piperidin-1-yl]acetyl]benzamide
CID 60684983
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
CID 116637743
N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 22447957
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-2-phenylacetamide
CID 66260986
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-2-phenylacetamide
CID 60684561
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 62046547
N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
CID 61295576
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 55038005
N'-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 8854676
N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 62015911
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide (CID 66262005) is N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide is O=C(CN1CCC[C@@H]1CO)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide?
The InChIKey is LMEFHIJINNGTKS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-10-12-7-4-8-17(12)9-13(19)15-16-14(20)11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2,(H,15,19)(H,16,20)/t12-/m1/s1.
What are the key properties of N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide?
N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide has a molecular weight of 277.32 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 66262005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).