tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid

C10H19NO3 — CID 87302687

IUPACtert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(C)(C)CC=O
InChIInChI=1S/C10H19NO3/c1-9(2,3)11(8(13)14)10(4,5)6-7-12/h7H,6H2,1-5H3,(H,13,14)
InChIKeyCUTORUWZPNKEPD-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.13
Rot. Bonds3

About tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid

tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid (PubChem CID 87302687) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid
PubChem CID87302687
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(C)(C)CC=O
InChIInChI=1S/C10H19NO3/c1-9(2,3)11(8(13)14)10(4,5)6-7-12/h7H,6H2,1-5H3,(H,13,14)
InChIKeyCUTORUWZPNKEPD-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid
CID 89123802
tert-butyl-(2-methyl-1-prop-2-enoxypropan-2-yl)carbamic acid
CID 87449231
tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid
CID 45092001
tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid
CID 45092224
[1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid
CID 66941433
2-methyl-2-(methylamino)-4-oxobutanamide
CID 175751505
(E)-4-(ditert-butylamino)-4-oxobut-2-enoic acid
CID 151587321
4-amino-3,3-dimethylbutanal
CID 18683027
4-bromo-4-methyl-6-oxohexanoic acid
CID 175480770
tert-butyl-[4-(4-iodoimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid
CID 67315689
tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid
CID 138610691
2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid
CID 175144681

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid?
The IUPAC name of tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid (CID 87302687) is tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid?
The canonical SMILES for tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid is CC(C)(C)N(C(=O)O)C(C)(C)CC=O.
What is the InChIKey of tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid?
The InChIKey is CUTORUWZPNKEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,3)11(8(13)14)10(4,5)6-7-12/h7H,6H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid?
tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid has a molecular weight of 201.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid is sourced from PubChem (CID 87302687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).