tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate

C14H27NO4 — CID 166469427

IUPACtert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(C(CO)CO)C1CC1
InChIInChI=1S/C14H27NO4/c1-14(2,3)19-13(18)15-7-6-12(10-4-5-10)11(8-16)9-17/h10-12,16-17H,4-9H2,1-3H3,(H,15,18)
InChIKeyGKSWJLJBJBNLHM-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.53
Rot. Bonds7

About tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate

tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate (PubChem CID 166469427) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate
PubChem CID166469427
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(C(CO)CO)C1CC1
InChIInChI=1S/C14H27NO4/c1-14(2,3)19-13(18)15-7-6-12(10-4-5-10)11(8-16)9-17/h10-12,16-17H,4-9H2,1-3H3,(H,15,18)
InChIKeyGKSWJLJBJBNLHM-UHFFFAOYSA-N
XLogP1.53
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
CID 129387440
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate
CID 115630476
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
CID 175690167
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate?
The IUPAC name of tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate (CID 166469427) is tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate is CC(C)(C)OC(=O)NCCC(C(CO)CO)C1CC1.
What is the InChIKey of tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate?
The InChIKey is GKSWJLJBJBNLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-14(2,3)19-13(18)15-7-6-12(10-4-5-10)11(8-16)9-17/h10-12,16-17H,4-9H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate?
tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate has a molecular weight of 273.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate is sourced from PubChem (CID 166469427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).