(1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium

C10H17NO4Y — CID 159970528

IUPAC(1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium
SMILESCNC(=O)C1CC(OC)CC[C@@H]1C(=O)O.[Y]
InChIInChI=1S/C10H17NO4.Y/c1-11-9(12)8-5-6(15-2)3-4-7(8)10(13)14;/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14);/t6?,7-,8?;/m0./s1
InChIKeyNAKDIZOGPSGPMU-HKFBNJBWSA-N
MW304.16 g/mol
LogP0.25
Rot. Bonds3

About (1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium

(1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium (PubChem CID 159970528) has the molecular formula C10H17NO4Y and a molecular weight of 304.16 g/mol. Its IUPAC name is (1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium.

Molecular Properties

Compound Name(1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium
PubChem CID159970528
Molecular FormulaC10H17NO4Y
Molecular Weight304.16 g/mol
Exact Mass304.02
IUPAC Name(1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium
SMILESCNC(=O)C1CC(OC)CC[C@@H]1C(=O)O.[Y]
InChIInChI=1S/C10H17NO4.Y/c1-11-9(12)8-5-6(15-2)3-4-7(8)10(13)14;/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14);/t6?,7-,8?;/m0./s1
InChIKeyNAKDIZOGPSGPMU-HKFBNJBWSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium?
The IUPAC name of (1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium (CID 159970528) is (1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium.
What is the SMILES notation for (1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium?
The canonical SMILES for (1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium is CNC(=O)C1CC(OC)CC[C@@H]1C(=O)O.[Y].
What is the InChIKey of (1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium?
The InChIKey is NAKDIZOGPSGPMU-HKFBNJBWSA-N. The full InChI is InChI=1S/C10H17NO4.Y/c1-11-9(12)8-5-6(15-2)3-4-7(8)10(13)14;/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14);/t6?,7-,8?;/m0./s1.
What are the key properties of (1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium?
(1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium has a molecular weight of 304.16 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium is sourced from PubChem (CID 159970528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).