tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate

C10H20N2O3 — CID 122463347

IUPACtert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate
SMILESCN1CC(O)C(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)11-7-5-12(4)6-8(7)13/h7-8,13H,5-6H2,1-4H3,(H,11,14)
InChIKeyKVDCHNMDBYFOAX-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.19
Rot. Bonds1

About tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate

tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate (PubChem CID 122463347) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate
PubChem CID122463347
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate
SMILESCN1CC(O)C(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)11-7-5-12(4)6-8(7)13/h7-8,13H,5-6H2,1-4H3,(H,11,14)
InChIKeyKVDCHNMDBYFOAX-UHFFFAOYSA-N
XLogP0.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate
CID 167292263
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CID 156824590
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
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tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-[(3S,4R)-3-hydroxy-1,1-dioxothian-4-yl]carbamate
CID 178017060
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate (CID 122463347) is tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate is CN1CC(O)C(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate?
The InChIKey is KVDCHNMDBYFOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)11-7-5-12(4)6-8(7)13/h7-8,13H,5-6H2,1-4H3,(H,11,14).
What are the key properties of tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate?
tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 122463347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).