tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate

C13H26N2O4 — CID 24824434

IUPACtert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
SMILESCON(C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H26N2O4/c1-9(2)10(8-11(16)15(6)18-7)14-12(17)19-13(3,4)5/h9-10H,8H2,1-7H3,(H,14,17)/t10-/m1/s1
InChIKeyYNHWZVFIHSHKKG-SNVBAGLBSA-N
MW274.36 g/mol
LogP1.95
Rot. Bonds5

About tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate

tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate (PubChem CID 24824434) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
PubChem CID24824434
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Nametert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
SMILESCON(C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H26N2O4/c1-9(2)10(8-11(16)15(6)18-7)14-12(17)19-13(3,4)5/h9-10H,8H2,1-7H3,(H,14,17)/t10-/m1/s1
InChIKeyYNHWZVFIHSHKKG-SNVBAGLBSA-N
XLogP1.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
tert-butyl (2R)-4-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 57382108
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(3R)-6-bromo-2-methyl-5-oxohexan-3-yl]carbamate
CID 170910641
tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopentan-3-yl]carbamate
CID 118024739
tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
CID 69432150
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl (2S)-5-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 11244915
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327
tert-butyl N-[(1Z,3S)-1-amino-1-hydroxyimino-4-methylpentan-3-yl]carbamate
CID 138708705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate (CID 24824434) is tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate is CON(C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
The InChIKey is YNHWZVFIHSHKKG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-9(2)10(8-11(16)15(6)18-7)14-12(17)19-13(3,4)5/h9-10H,8H2,1-7H3,(H,14,17)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate has a molecular weight of 274.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate is sourced from PubChem (CID 24824434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).