tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate

C10H18N2O4 — CID 130420312

IUPACtert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCNC(=O)C1O
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-6-4-5-11-8(14)7(6)13/h6-7,13H,4-5H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyKVZHVPHTTVEZBO-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.24
Rot. Bonds1

About tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate

tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate (PubChem CID 130420312) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate
PubChem CID130420312
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nametert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCNC(=O)C1O
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-6-4-5-11-8(14)7(6)13/h6-7,13H,4-5H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyKVZHVPHTTVEZBO-UHFFFAOYSA-N
XLogP-0.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-[(3S,6R)-6-hydroxy-2-oxoazocan-3-yl]carbamate
CID 102263285
tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
CID 95654557
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071
tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
CID 105467597
tert-butyl N-[(9Z,12E)-6-hydroxy-12,14,14-trimethyl-5,16-dioxo-1,4-diazacyclohexadeca-9,12-dien-7-yl]carbamate
CID 173295836
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
CID 157044319
tert-butyl N-[(2S)-3,4,4-trihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamate
CID 166936770
[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid
CID 69017536
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate (CID 130420312) is tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate is CC(C)(C)OC(=O)NC1CCNC(=O)C1O.
What is the InChIKey of tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate?
The InChIKey is KVZHVPHTTVEZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-6-4-5-11-8(14)7(6)13/h6-7,13H,4-5H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate?
tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate has a molecular weight of 230.26 g/mol, XLogP of -0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate is sourced from PubChem (CID 130420312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).