cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide

C12H22N2O4 — CID 69205945

IUPACcis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide
SMILESNC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@H](CO)CCO
InChIInChI=1S/C12H22N2O4/c13-11(17)9-3-1-2-4-10(9)12(18)14-8(7-16)5-6-15/h8-10,15-16H,1-7H2,(H2,13,17)(H,14,18)/t8-,9-,10+/m0/s1
InChIKeyTVMOTLNPRXUROW-LPEHRKFASA-N
MW258.32 g/mol
LogP-0.86
Rot. Bonds6

About cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide

cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide (PubChem CID 69205945) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide
PubChem CID69205945
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namecis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide
SMILESNC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@H](CO)CCO
InChIInChI=1S/C12H22N2O4/c13-11(17)9-3-1-2-4-10(9)12(18)14-8(7-16)5-6-15/h8-10,15-16H,1-7H2,(H2,13,17)(H,14,18)/t8-,9-,10+/m0/s1
InChIKeyTVMOTLNPRXUROW-LPEHRKFASA-N
XLogP-0.86
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide?
The IUPAC name of cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide (CID 69205945) is cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide?
The canonical SMILES for cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide is NC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@H](CO)CCO.
What is the InChIKey of cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide?
The InChIKey is TVMOTLNPRXUROW-LPEHRKFASA-N. The full InChI is InChI=1S/C12H22N2O4/c13-11(17)9-3-1-2-4-10(9)12(18)14-8(7-16)5-6-15/h8-10,15-16H,1-7H2,(H2,13,17)(H,14,18)/t8-,9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide?
cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide has a molecular weight of 258.32 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-[(2S)-1,4-dihydroxybutan-2-yl]cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 69205945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).