tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate

C8H17NO4 — CID 10241638

IUPACtert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)CO
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-4-6(11)5-10/h6,10-11H,4-5H2,1-3H3,(H,9,12)/t6-/m0/s1
InChIKeyOWAMQHJPVUGZSB-LURJTMIESA-N
MW191.23 g/mol
LogP-0.14
Rot. Bonds3

About tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate

tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate (PubChem CID 10241638) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
PubChem CID10241638
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Nametert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)CO
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-4-6(11)5-10/h6,10-11H,4-5H2,1-3H3,(H,9,12)/t6-/m0/s1
InChIKeyOWAMQHJPVUGZSB-LURJTMIESA-N
XLogP-0.14
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
CID 175690513
CID 175690513
tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
CID 91667088
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;2-methylprop-2-enoic acid
CID 158486538
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
methyl (2S,5S)-5-hydroxy-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 101344037

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate (CID 10241638) is tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate is CC(C)(C)OC(=O)NC[C@H](O)CO.
What is the InChIKey of tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate?
The InChIKey is OWAMQHJPVUGZSB-LURJTMIESA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-4-6(11)5-10/h6,10-11H,4-5H2,1-3H3,(H,9,12)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate has a molecular weight of 191.23 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 10241638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).