tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate

C11H22N2O3 — CID 103694373

IUPACtert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CC[C@H](O)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)12-5-7-13-6-4-9(14)8-13/h9,14H,4-8H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyNSHBKHBPLDXYPG-VIFPVBQESA-N
MW230.31 g/mol
LogP0.58
Rot. Bonds3

About tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate (PubChem CID 103694373) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
PubChem CID103694373
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CC[C@H](O)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)12-5-7-13-6-4-9(14)8-13/h9,14H,4-8H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyNSHBKHBPLDXYPG-VIFPVBQESA-N
XLogP0.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid
CID 66611497
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
CID 90457179
2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide
CID 167969156
tert-butyl N-[2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]carbamate
CID 117274207
tert-butyl N-[2-[1-[2-[(N'-methylcarbamimidoyl)amino]ethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 170130136
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]carbamate
CID 66565988
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
CID 126820899
benzyl-[(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-3-yl]carbamic acid
CID 135311122
tert-butyl N-[[1-[2-(propylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963319
tert-butyl N-[[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963126

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate (CID 103694373) is tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CC[C@H](O)C1.
What is the InChIKey of tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is NSHBKHBPLDXYPG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)12-5-7-13-6-4-9(14)8-13/h9,14H,4-8H2,1-3H3,(H,12,15)/t9-/m0/s1.
What are the key properties of tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 103694373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).