tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate

C10H20N2O3 — CID 54105539

IUPACtert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate
SMILESCC(C)[C@@H](C=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)8(6-13)11-12-9(14)15-10(3,4)5/h6-8,11H,1-5H3,(H,12,14)/t8-/m1/s1
InChIKeyCXDROSVLOQSTOT-MRVPVSSYSA-N
MW216.28 g/mol
LogP1.24
Rot. Bonds4

About tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate

tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate (PubChem CID 54105539) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate
PubChem CID54105539
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate
SMILESCC(C)[C@@H](C=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)8(6-13)11-12-9(14)15-10(3,4)5/h6-8,11H,1-5H3,(H,12,14)/t8-/m1/s1
InChIKeyCXDROSVLOQSTOT-MRVPVSSYSA-N
XLogP1.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 545985
tert-butyl N-[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 51050043
tert-butyl N-(2-methylpentan-3-ylamino)carbamate
CID 107237291
tert-butyl N-[[(2S)-1-methoxy-3-oxopropan-2-yl]amino]carbamate
CID 135156035
tert-butyl N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 173092430
tert-butyl N-(1-aminopropan-2-ylamino)carbamate
CID 107237265
tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate
CID 174652881
tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate
CID 15936517
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
tert-butyl 3-methyl-2-[(3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoate
CID 143356451
tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate
CID 107236759
tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate
CID 107237362

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate?
The IUPAC name of tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate (CID 54105539) is tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate is CC(C)[C@@H](C=O)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate?
The InChIKey is CXDROSVLOQSTOT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)8(6-13)11-12-9(14)15-10(3,4)5/h6-8,11H,1-5H3,(H,12,14)/t8-/m1/s1.
What are the key properties of tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate?
tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate has a molecular weight of 216.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate is sourced from PubChem (CID 54105539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).