tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate

C14H27NO3 — CID 170168856

IUPACtert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate
SMILESCC1(CCC(CO)NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C14H27NO3/c1-13(2,3)18-12(17)15-11(10-16)6-9-14(4)7-5-8-14/h11,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyPHDYRBQYPNVXRE-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate

tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate (PubChem CID 170168856) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate
PubChem CID170168856
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate
SMILESCC1(CCC(CO)NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C14H27NO3/c1-13(2,3)18-12(17)15-11(10-16)6-9-14(4)7-5-8-14/h11,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyPHDYRBQYPNVXRE-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane
CID 176970669
tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate
CID 86710332
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[(2R)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[(E,2R)-1-hydroxyhex-4-en-2-yl]carbamate
CID 97300100
tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate
CID 155893880
tert-butyl N-[(E,2R)-1-hydroxyundec-5-en-2-yl]carbamate
CID 101033038
tert-butyl N-[(2R)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
CID 51387393
tert-butyl N-(4-amino-1-hydroxy-4-oxobutan-2-yl)carbamate
CID 53396005

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate (CID 170168856) is tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate is CC1(CCC(CO)NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate?
The InChIKey is PHDYRBQYPNVXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,3)18-12(17)15-11(10-16)6-9-14(4)7-5-8-14/h11,16H,5-10H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate?
tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate has a molecular weight of 257.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate is sourced from PubChem (CID 170168856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).