[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate

C16H31NO4 — CID 67799084

IUPAC[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate
SMILESCCC(CC)C(O)[C@@H](O)[C@H](CC1CCCCC1)OC(N)=O
InChIInChI=1S/C16H31NO4/c1-3-12(4-2)14(18)15(19)13(21-16(17)20)10-11-8-6-5-7-9-11/h11-15,18-19H,3-10H2,1-2H3,(H2,17,20)/t13-,14?,15-/m0/s1
InChIKeyMAUSNWFIMUQSGT-LWEDLAQUSA-N
MW301.43 g/mol
LogP2.58
Rot. Bonds8

About [(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate

[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate (PubChem CID 67799084) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is [(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate
PubChem CID67799084
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate
SMILESCCC(CC)C(O)[C@@H](O)[C@H](CC1CCCCC1)OC(N)=O
InChIInChI=1S/C16H31NO4/c1-3-12(4-2)14(18)15(19)13(21-16(17)20)10-11-8-6-5-7-9-11/h11-15,18-19H,3-10H2,1-2H3,(H2,17,20)/t13-,14?,15-/m0/s1
InChIKeyMAUSNWFIMUQSGT-LWEDLAQUSA-N
XLogP2.58
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3R)-1-cyclohexyl-3-hydroxypent-4-en-2-yl] carbamate
CID 67723480
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl]carbamic acid
CID 70055412
3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide
CID 91328621
2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid
CID 69268124
1-cycloheptyl-3-ethylpentan-2-amine
CID 105014024
(2-ethyl-3-methylpentyl)cyclohexane
CID 91213059
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
(2S)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
1-cyclobutyl-3-methylpentan-2-ol
CID 65459256
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate?
The IUPAC name of [(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate (CID 67799084) is [(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate.
What is the SMILES notation for [(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate?
The canonical SMILES for [(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate is CCC(CC)C(O)[C@@H](O)[C@H](CC1CCCCC1)OC(N)=O.
What is the InChIKey of [(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate?
The InChIKey is MAUSNWFIMUQSGT-LWEDLAQUSA-N. The full InChI is InChI=1S/C16H31NO4/c1-3-12(4-2)14(18)15(19)13(21-16(17)20)10-11-8-6-5-7-9-11/h11-15,18-19H,3-10H2,1-2H3,(H2,17,20)/t13-,14?,15-/m0/s1.
What are the key properties of [(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate?
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate has a molecular weight of 301.43 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate is sourced from PubChem (CID 67799084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).