(2S)-N'-acetyloxolane-2-carbohydrazide

C7H12N2O3 — CID 131155943

IUPAC(2S)-N'-acetyloxolane-2-carbohydrazide
SMILESCC(=O)NNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C7H12N2O3/c1-5(10)8-9-7(11)6-3-2-4-12-6/h6H,2-4H2,1H3,(H,8,10)(H,9,11)/t6-/m0/s1
InChIKeyDRXZWBFYASCAPJ-LURJTMIESA-N
MW172.18 g/mol
LogP-0.67
Rot. Bonds1

About (2S)-N'-acetyloxolane-2-carbohydrazide

(2S)-N'-acetyloxolane-2-carbohydrazide (PubChem CID 131155943) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2S)-N'-acetyloxolane-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-acetyloxolane-2-carbohydrazide
PubChem CID131155943
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2S)-N'-acetyloxolane-2-carbohydrazide
SMILESCC(=O)NNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C7H12N2O3/c1-5(10)8-9-7(11)6-3-2-4-12-6/h6H,2-4H2,1H3,(H,8,10)(H,9,11)/t6-/m0/s1
InChIKeyDRXZWBFYASCAPJ-LURJTMIESA-N
XLogP-0.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.67
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

(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]oxolane-2-carboxamide
CID 110423404
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-acetyloxolane-2-carbohydrazide?
The IUPAC name of (2S)-N'-acetyloxolane-2-carbohydrazide (CID 131155943) is (2S)-N'-acetyloxolane-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-acetyloxolane-2-carbohydrazide?
The canonical SMILES for (2S)-N'-acetyloxolane-2-carbohydrazide is CC(=O)NNC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N'-acetyloxolane-2-carbohydrazide?
The InChIKey is DRXZWBFYASCAPJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(10)8-9-7(11)6-3-2-4-12-6/h6H,2-4H2,1H3,(H,8,10)(H,9,11)/t6-/m0/s1.
What are the key properties of (2S)-N'-acetyloxolane-2-carbohydrazide?
(2S)-N'-acetyloxolane-2-carbohydrazide has a molecular weight of 172.18 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-acetyloxolane-2-carbohydrazide is sourced from PubChem (CID 131155943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).