(1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide

C9H17NO3 — CID 171480775

IUPAC(1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C9H17NO3/c1-10(2)9(13)6-3-4-7(11)8(12)5-6/h6-8,11-12H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyVZCREAKTELFJAK-RNJXMRFFSA-N
MW187.24 g/mol
LogP-0.40
Rot. Bonds1

About (1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide

(1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 171480775) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID171480775
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C9H17NO3/c1-10(2)9(13)6-3-4-7(11)8(12)5-6/h6-8,11-12H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyVZCREAKTELFJAK-RNJXMRFFSA-N
XLogP-0.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of (1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide (CID 171480775) is (1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for (1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide is CN(C)C(=O)[C@H]1CC[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is VZCREAKTELFJAK-RNJXMRFFSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10(2)9(13)6-3-4-7(11)8(12)5-6/h6-8,11-12H,3-5H2,1-2H3/t6-,7+,8-/m0/s1.
What are the key properties of (1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide?
(1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R)-3,4-dihydroxy-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 171480775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).