methyl 2-(diazinan-3-yl)acetate

C7H14N2O2 — CID 91286316

IUPACmethyl 2-(diazinan-3-yl)acetate
SMILESCOC(=O)CC1CCCNN1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)5-6-3-2-4-8-9-6/h6,8-9H,2-5H2,1H3
InChIKeyYWVTTXJSBNZGEM-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.19
Rot. Bonds2

About methyl 2-(diazinan-3-yl)acetate

methyl 2-(diazinan-3-yl)acetate (PubChem CID 91286316) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 2-(diazinan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(diazinan-3-yl)acetate
PubChem CID91286316
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 2-(diazinan-3-yl)acetate
SMILESCOC(=O)CC1CCCNN1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)5-6-3-2-4-8-9-6/h6,8-9H,2-5H2,1H3
InChIKeyYWVTTXJSBNZGEM-UHFFFAOYSA-N
XLogP-0.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(azocan-2-yl)acetate
CID 86040521
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
methyl 2-(1,4-diazepan-5-yl)acetate
CID 23090340
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
CID 10877378
methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate
CID 97300343
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
methyl 2-[[(2S)-pyrrolidin-2-yl]methyl]prop-2-enoate
CID 167727766
(3S)-(1,2-15N2)diazinane-3-carboxylic acid
CID 10820561
methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate
CID 97301316
methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate
CID 11665473

Frequently Asked Questions

What is the IUPAC name of methyl 2-(diazinan-3-yl)acetate?
The IUPAC name of methyl 2-(diazinan-3-yl)acetate (CID 91286316) is methyl 2-(diazinan-3-yl)acetate.
What is the SMILES notation for methyl 2-(diazinan-3-yl)acetate?
The canonical SMILES for methyl 2-(diazinan-3-yl)acetate is COC(=O)CC1CCCNN1.
What is the InChIKey of methyl 2-(diazinan-3-yl)acetate?
The InChIKey is YWVTTXJSBNZGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-7(10)5-6-3-2-4-8-9-6/h6,8-9H,2-5H2,1H3.
What are the key properties of methyl 2-(diazinan-3-yl)acetate?
methyl 2-(diazinan-3-yl)acetate has a molecular weight of 158.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diazinan-3-yl)acetate is sourced from PubChem (CID 91286316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).