2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide

C17H27N3O3 — CID 11937802

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H27N3O3/c21-15(10-14-9-12-5-6-13(14)8-12)18-19-16(22)11-20-7-3-1-2-4-17(20)23/h12-14H,1-11H2,(H,18,21)(H,19,22)/t12-,13+,14-/m0/s1
InChIKeyDEGJFBPWNJEAFH-MJBXVCDLSA-N
MW321.42 g/mol
LogP1.36
Rot. Bonds4

About 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide (PubChem CID 11937802) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide
PubChem CID11937802
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H27N3O3/c21-15(10-14-9-12-5-6-13(14)8-12)18-19-16(22)11-20-7-3-1-2-4-17(20)23/h12-14H,1-11H2,(H,18,21)(H,19,22)/t12-,13+,14-/m0/s1
InChIKeyDEGJFBPWNJEAFH-MJBXVCDLSA-N
XLogP1.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-oxo-2-[2-[2-(2-oxoazocan-1-yl)acetyl]hydrazinyl]acetamide
CID 55756771
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 21174904
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 71896073
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 18557291
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 11929369
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544787
2-[2-[2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 21175593
N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-piperidin-1-ylsulfonylbenzohydrazide
CID 11919734

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide (CID 11937802) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide is O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)CN1CCCCCC1=O.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide?
The InChIKey is DEGJFBPWNJEAFH-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-15(10-14-9-12-5-6-13(14)8-12)18-19-16(22)11-20-7-3-1-2-4-17(20)23/h12-14H,1-11H2,(H,18,21)(H,19,22)/t12-,13+,14-/m0/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide has a molecular weight of 321.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide is sourced from PubChem (CID 11937802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).