tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate

C12H24N2O5 — CID 163638463

IUPACtert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate
SMILESCOC(=O)N[C@@H](CO)C(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O5/c1-8(9(7-15)14-11(17)18-5)6-13-10(16)19-12(2,3)4/h8-9,15H,6-7H2,1-5H3,(H,13,16)(H,14,17)/t8?,9-/m0/s1
InChIKeyICFDORXACCYWOY-GKAPJAKFSA-N
MW276.33 g/mol
LogP0.86
Rot. Bonds5

About tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate

tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate (PubChem CID 163638463) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate
PubChem CID163638463
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Nametert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate
SMILESCOC(=O)N[C@@H](CO)C(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O5/c1-8(9(7-15)14-11(17)18-5)6-13-10(16)19-12(2,3)4/h8-9,15H,6-7H2,1-5H3,(H,13,16)(H,14,17)/t8?,9-/m0/s1
InChIKeyICFDORXACCYWOY-GKAPJAKFSA-N
XLogP0.86
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate
CID 130004044
(3R,4S)-5-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118054348
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 87666537
tert-butyl N-[(2R,3S)-2-(hydroxymethyl)-3-methylpentyl]carbamate
CID 75365792
tert-butyl N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 10978099
(2S,3R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 170324180
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate (CID 163638463) is tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate is COC(=O)N[C@@H](CO)C(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate?
The InChIKey is ICFDORXACCYWOY-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-8(9(7-15)14-11(17)18-5)6-13-10(16)19-12(2,3)4/h8-9,15H,6-7H2,1-5H3,(H,13,16)(H,14,17)/t8?,9-/m0/s1.
What are the key properties of tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate?
tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate has a molecular weight of 276.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate is sourced from PubChem (CID 163638463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).