4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid

C12H20N2O4 — CID 122024034

IUPAC4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCCCO2)CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-3-5-10(6-4-9)13-12(17)14-7-1-2-8-18-14/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyQSUQGPXMCDWOEX-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.37
Rot. Bonds2

About 4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid

4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 122024034) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID122024034
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCCCO2)CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-3-5-10(6-4-9)13-12(17)14-7-1-2-8-18-14/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyQSUQGPXMCDWOEX-UHFFFAOYSA-N
XLogP1.37
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,2-oxazolidine-2-carbonyl)cyclohexyl]cyclopentanecarboxamide
CID 91648002
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CID 19391498
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024417
4-[[3-(oxan-4-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023608
4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024519
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024853
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231

Frequently Asked Questions

What is the IUPAC name of 4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid (CID 122024034) is 4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCCCO2)CC1.
What is the InChIKey of 4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is QSUQGPXMCDWOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(16)9-3-5-10(6-4-9)13-12(17)14-7-1-2-8-18-14/h9-10H,1-8H2,(H,13,17)(H,15,16).
What are the key properties of 4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid?
4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).