3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid

C10H18N2O4 — CID 56621612

IUPAC3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CCCN(C(=O)O)N1
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-8(13)7-5-4-6-12(11-7)9(14)15/h7,11H,4-6H2,1-3H3,(H,14,15)
InChIKeyNKEBSVMSKDNWTM-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.98
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid (PubChem CID 56621612) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid
PubChem CID56621612
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CCCN(C(=O)O)N1
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-8(13)7-5-4-6-12(11-7)9(14)15/h7,11H,4-6H2,1-3H3,(H,14,15)
InChIKeyNKEBSVMSKDNWTM-UHFFFAOYSA-N
XLogP0.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 90725204
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
methyl 1-acetyldiazinane-3-carboxylate
CID 22955163
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
tert-butyl 1-[2-[[2-[tert-butyl(methyl)amino]-3,3-dimethylbutanoyl]amino]-4,4-dimethylpentanoyl]diazinane-3-carboxylate
CID 176875086
tert-butyl 6-methylpiperidine-2-carboxylate
CID 78131880
(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 71748131
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
2,2,2-trichloroethyl 1-acetyldiazinane-3-carboxylate
CID 123225420
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230
methyl 1-[2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-propan-2-ylpentanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 123693599

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid (CID 56621612) is 3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid is CC(C)(C)OC(=O)C1CCCN(C(=O)O)N1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid?
The InChIKey is NKEBSVMSKDNWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-8(13)7-5-4-6-12(11-7)9(14)15/h7,11H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid is sourced from PubChem (CID 56621612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).