N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide

C9H18N4O2 — CID 62062013

IUPACN'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
SMILESCC(=O)NNC(=O)CN1CCC(CN)C1
InChIInChI=1S/C9H18N4O2/c1-7(14)11-12-9(15)6-13-3-2-8(4-10)5-13/h8H,2-6,10H2,1H3,(H,11,14)(H,12,15)
InChIKeyJSYCOOUOBGBXKX-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.57
Rot. Bonds3

About N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide

N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide (PubChem CID 62062013) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
PubChem CID62062013
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
SMILESCC(=O)NNC(=O)CN1CCC(CN)C1
InChIInChI=1S/C9H18N4O2/c1-7(14)11-12-9(15)6-13-3-2-8(4-10)5-13/h8H,2-6,10H2,1H3,(H,11,14)(H,12,15)
InChIKeyJSYCOOUOBGBXKX-UHFFFAOYSA-N
XLogP-1.57
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 62063944
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114802503
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
CID 62063064
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide
CID 62062527
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55030660
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 62064117
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 62064127
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 114802680
methyl 4-[[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 55030515
2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119915605
methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 79047605

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide?
The IUPAC name of N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide (CID 62062013) is N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide is CC(=O)NNC(=O)CN1CCC(CN)C1.
What is the InChIKey of N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide?
The InChIKey is JSYCOOUOBGBXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-7(14)11-12-9(15)6-13-3-2-8(4-10)5-13/h8H,2-6,10H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide?
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide has a molecular weight of 214.27 g/mol, XLogP of -1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide is sourced from PubChem (CID 62062013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).