tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate

C12H23NO3 — CID 91195138

IUPACtert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)C1CCCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10(8-14)9-6-4-5-7-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyPLLUYIVXBHXKFF-SNVBAGLBSA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate

tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate (PubChem CID 91195138) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
PubChem CID91195138
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)C1CCCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10(8-14)9-6-4-5-7-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyPLLUYIVXBHXKFF-SNVBAGLBSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
tert-butyl N-[(1S)-1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]carbamate
CID 131744619
tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate
CID 135392522
tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate
CID 24730282
tert-butyl N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]carbamate
CID 101197526
methyl 2-[4-[2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl]acetate
CID 142441432
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[(1R)-1-cyclohexyl-2-nitroethyl]carbamate
CID 71474893
propyl 4-[(1S)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexane-1-carboxylate
CID 144990565
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl 4-cyclohexyl-4-(methoxycarbonylamino)butanoate
CID 163923259
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid
CID 34178705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate (CID 91195138) is tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)C1CCCC1.
What is the InChIKey of tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate?
The InChIKey is PLLUYIVXBHXKFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10(8-14)9-6-4-5-7-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate?
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate is sourced from PubChem (CID 91195138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).