2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide

C7H17N3O — CID 54504471

IUPAC2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide
SMILES[2H][C@H](CCCC)NCC(=O)NN
InChIInChI=1S/C7H17N3O/c1-2-3-4-5-9-6-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11)/i5D/t5-/m1/s1
InChIKeyYESKJVHQZSUSOT-QGNIZCMSSA-N
MW160.24 g/mol
LogP-0.24
Rot. Bonds6

About 2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide

2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide (PubChem CID 54504471) has the molecular formula C7H17N3O and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide.

Molecular Properties

Compound Name2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide
PubChem CID54504471
Molecular FormulaC7H17N3O
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide
SMILES[2H][C@H](CCCC)NCC(=O)NN
InChIInChI=1S/C7H17N3O/c1-2-3-4-5-9-6-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11)/i5D/t5-/m1/s1
InChIKeyYESKJVHQZSUSOT-QGNIZCMSSA-N
XLogP-0.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

CID 17542
CID 17542
CID 17544
CID 17544
CID 17546
CID 17546
CID 17866
CID 17866
CID 43163871
CID 43163871
CID 54005677
CID 54005677
CID 13040312
CID 13040312
CID 13743712
CID 13743712
CID 17201938
CID 17201938
CID 17201939
CID 17201939
CID 22004304
CID 22004304
CID 22841836
CID 22841836

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide?
The IUPAC name of 2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide (CID 54504471) is 2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide.
What is the SMILES notation for 2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide?
The canonical SMILES for 2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide is [2H][C@H](CCCC)NCC(=O)NN.
What is the InChIKey of 2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide?
The InChIKey is YESKJVHQZSUSOT-QGNIZCMSSA-N. The full InChI is InChI=1S/C7H17N3O/c1-2-3-4-5-9-6-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11)/i5D/t5-/m1/s1.
What are the key properties of 2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide?
2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide has a molecular weight of 160.24 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-deuteriopentyl]amino]acetohydrazide is sourced from PubChem (CID 54504471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).