tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate

C11H22N2O5 — CID 10858271

IUPACtert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
SMILESCON(C)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O5/c1-11(2,3)18-10(16)12-8(6-7-14)9(15)13(4)17-5/h8,14H,6-7H2,1-5H3,(H,12,16)/t8-/m0/s1
InChIKeyHELDTSIKEWFFOL-QMMMGPOBSA-N
MW262.31 g/mol
LogP0.28
Rot. Bonds5

About tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate (PubChem CID 10858271) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
PubChem CID10858271
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Nametert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
SMILESCON(C)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O5/c1-11(2,3)18-10(16)12-8(6-7-14)9(15)13(4)17-5/h8,14H,6-7H2,1-5H3,(H,12,16)/t8-/m0/s1
InChIKeyHELDTSIKEWFFOL-QMMMGPOBSA-N
XLogP0.28
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-5-methyl-1-oxohexan-2-yl]carbamate
CID 22942156
tert-butyl N-[6-amino-1-[methoxy(methyl)amino]-1-oxohexan-2-yl]carbamate
CID 85093744
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 144676019
tert-butyl N-[(4S)-5-[methoxy(methyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]-N-(2-methylbutan-2-yl)carbamate
CID 166937128
tert-butyl N-[(2S)-7-imino-1-[methoxy(methyl)amino]-1-oxononan-2-yl]carbamate
CID 158354857
tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 169302219
tert-butyl N-[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 75088662
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate
CID 147540302
tert-butyl (2S)-5-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 11244915
tert-butyl N-[1-[methoxy(methyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 21475832
tert-butyl (2R)-4-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 57382108

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate (CID 10858271) is tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate is CON(C)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate?
The InChIKey is HELDTSIKEWFFOL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-11(2,3)18-10(16)12-8(6-7-14)9(15)13(4)17-5/h8,14H,6-7H2,1-5H3,(H,12,16)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 10858271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).