tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid

C15H29NO5 — CID 22616826

IUPACtert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid
SMILESCC(C)(C)OC(N)=O.CC(C1CCCCC1)C(O)C(=O)O
InChIInChI=1S/C10H18O3.C5H11NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8;1-5(2,3)8-4(6)7/h7-9,11H,2-6H2,1H3,(H,12,13);1-3H3,(H2,6,7)
InChIKeyDDPLWGKRFDMTFO-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid

tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid (PubChem CID 22616826) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid.

Molecular Properties

Compound Nametert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid
PubChem CID22616826
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Nametert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid
SMILESCC(C)(C)OC(N)=O.CC(C1CCCCC1)C(O)C(=O)O
InChIInChI=1S/C10H18O3.C5H11NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8;1-5(2,3)8-4(6)7/h7-9,11H,2-6H2,1H3,(H,12,13);1-3H3,(H2,6,7)
InChIKeyDDPLWGKRFDMTFO-UHFFFAOYSA-N
XLogP2.53
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane
CID 142366639
tert-butyl carbamate;methylcyclohexane
CID 143641656
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CID 66338919
tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
CID 174620186
tert-butyl 2-cyclopentylpropanoate
CID 142496420
tert-butyl carbamate;cyclobutanol
CID 143474652
tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
CID 15091153
2-[amino(cyclopentyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174534601
[(1R,2S)-1-cyclohexyl-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]-dimethylsulfanium
CID 11372296
tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate
CID 102268021
tert-butyl (2S)-2-[amino(cyclohexyl)methyl]-3,4,5-trihydroxy-6-methylheptanoate
CID 70042527
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid?
The IUPAC name of tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid (CID 22616826) is tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid.
What is the SMILES notation for tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid?
The canonical SMILES for tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid is CC(C)(C)OC(N)=O.CC(C1CCCCC1)C(O)C(=O)O.
What is the InChIKey of tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid?
The InChIKey is DDPLWGKRFDMTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C5H11NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8;1-5(2,3)8-4(6)7/h7-9,11H,2-6H2,1H3,(H,12,13);1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid?
tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid has a molecular weight of 303.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid is sourced from PubChem (CID 22616826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).