N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide

C8H16N4O2 — CID 62067101

IUPACN'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide
SMILESCC(=O)NNC(=O)CN1CCC(N)C1
InChIInChI=1S/C8H16N4O2/c1-6(13)10-11-8(14)5-12-3-2-7(9)4-12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,14)
InChIKeyHHKQFGCNWKOIAC-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.81
Rot. Bonds2

About N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide

N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide (PubChem CID 62067101) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide
PubChem CID62067101
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC NameN'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide
SMILESCC(=O)NNC(=O)CN1CCC(N)C1
InChIInChI=1S/C8H16N4O2/c1-6(13)10-11-8(14)5-12-3-2-7(9)4-12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,14)
InChIKeyHHKQFGCNWKOIAC-UHFFFAOYSA-N
XLogP-1.81
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.81
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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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide (CID 62067101) is N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide is CC(=O)NNC(=O)CN1CCC(N)C1.
What is the InChIKey of N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide?
The InChIKey is HHKQFGCNWKOIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-6(13)10-11-8(14)5-12-3-2-7(9)4-12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide?
N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide has a molecular weight of 200.24 g/mol, XLogP of -1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(3-aminopyrrolidin-1-yl)acetohydrazide is sourced from PubChem (CID 62067101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).