tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid

C14H27NO3 — CID 69298750

IUPACtert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H](CO)CC1CCCCC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)15(13(17)18)12(10-16)9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyVWLNNEXTPSGQDM-GFCCVEGCSA-N
MW257.37 g/mol
LogP3.10
Rot. Bonds4

About tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid

tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid (PubChem CID 69298750) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid
PubChem CID69298750
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H](CO)CC1CCCCC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)15(13(17)18)12(10-16)9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyVWLNNEXTPSGQDM-GFCCVEGCSA-N
XLogP3.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamic acid
CID 87182551
[(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid
CID 174639349
tert-butyl-[(2S,3R)-1-cyclohexyl-3-methylsulfonyloxybutan-2-yl]carbamic acid
CID 87303013
tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate
CID 116861117
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 138500128
tert-butyl-[2-cyclohexyl-1-[4-(2-methylprop-2-enyl)-5-oxooxolan-2-yl]ethyl]carbamic acid
CID 70066966
tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid
CID 174185990
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid
CID 69468804

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid (CID 69298750) is tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H](CO)CC1CCCCC1.
What is the InChIKey of tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid?
The InChIKey is VWLNNEXTPSGQDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,3)15(13(17)18)12(10-16)9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid?
tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid has a molecular weight of 257.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid is sourced from PubChem (CID 69298750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).