4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid

C12H20N2O3 — CID 79525514

IUPAC4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCCNC2=O)CC1
InChIInChI=1S/C12H20N2O3/c15-11(16)10-4-2-9(3-5-10)8-14-7-1-6-13-12(14)17/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyVDCBYJUDKWQZKO-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds3

About 4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid

4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525514) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID79525514
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCCNC2=O)CC1
InChIInChI=1S/C12H20N2O3/c15-11(16)10-4-2-9(3-5-10)8-14-7-1-6-13-12(14)17/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyVDCBYJUDKWQZKO-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one
CID 115371072
1-[(4-methylcyclohexyl)methyl]imidazolidin-2-one
CID 115370654
3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid
CID 66032376
1-[(3-hydroxycyclopentyl)methyl]imidazolidin-2-one
CID 106131203
4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 79526416
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one
CID 139389018
1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one
CID 130992688
1-ethyl-1,3-diazinan-2-one
CID 21479220
1-(sulfanylmethyl)-1,3-diazinan-2-one
CID 118952516
3-methoxy-4-(2-oxo-1,3-diazinan-1-yl)butanoic acid
CID 103157501
4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 23643230

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid (CID 79525514) is 4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CN2CCCNC2=O)CC1.
What is the InChIKey of 4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VDCBYJUDKWQZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)10-4-2-9(3-5-10)8-14-7-1-6-13-12(14)17/h9-10H,1-8H2,(H,13,17)(H,15,16).
What are the key properties of 4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid?
4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).