tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate

C10H22N2O3 — CID 174652881

IUPACtert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate
SMILESCC(CO)C(C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-7(6-13)8(2)11-12-9(14)15-10(3,4)5/h7-8,11,13H,6H2,1-5H3,(H,12,14)
InChIKeyPHIBDXHZKMSNEV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.03
Rot. Bonds4

About tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate

tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate (PubChem CID 174652881) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate
PubChem CID174652881
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate
SMILESCC(CO)C(C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-7(6-13)8(2)11-12-9(14)15-10(3,4)5/h7-8,11,13H,6H2,1-5H3,(H,12,14)
InChIKeyPHIBDXHZKMSNEV-UHFFFAOYSA-N
XLogP1.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
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 N-(1-aminopropan-2-ylamino)carbamate
CID 107237265
tert-butyl N-(2-methylpentan-3-ylamino)carbamate
CID 107237291
(2R,3R)-4-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 16743319
tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate
CID 107236759
tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate
CID 107237362
tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate
CID 54105539
tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate
CID 130003468
tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate
CID 130004044
tert-butyl N-[(2R,3S)-2-(hydroxymethyl)-3-methylpentyl]carbamate
CID 75365792
(3R,4S)-5-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118054348
tert-butyl N-(2,3,3-trimethylbutylamino)carbamate
CID 130506890
tert-butyl N-(1-butoxypropan-2-ylamino)carbamate
CID 172695076

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate?
The IUPAC name of tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate (CID 174652881) is tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate is CC(CO)C(C)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate?
The InChIKey is PHIBDXHZKMSNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-7(6-13)8(2)11-12-9(14)15-10(3,4)5/h7-8,11,13H,6H2,1-5H3,(H,12,14).
What are the key properties of tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate?
tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate has a molecular weight of 218.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate is sourced from PubChem (CID 174652881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).