tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate

C11H24N2O2 — CID 83350039

IUPACtert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)N
InChIInChI=1S/C11H24N2O2/c1-7(2)9(8(3)12)13-10(14)15-11(4,5)6/h7-9H,12H2,1-6H3,(H,13,14)/t8?,9-/m1/s1
InChIKeyCCDGWMGDQSLCED-YGPZHTELSA-N
MW216.32 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate

tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate (PubChem CID 83350039) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
PubChem CID83350039
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)N
InChIInChI=1S/C11H24N2O2/c1-7(2)9(8(3)12)13-10(14)15-11(4,5)6/h7-9H,12H2,1-6H3,(H,13,14)/t8?,9-/m1/s1
InChIKeyCCDGWMGDQSLCED-YGPZHTELSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 130606798
tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate
CID 102537977
methyl (2R,3R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 124652362
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(3S)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
CID 11322160
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
tert-butyl N-[(3S,4R)-4-hydroxy-2,7,7-trimethyl-6-oxooctan-3-yl]carbamate
CID 6917568
methyl (3S,4S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 10891099
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate (CID 83350039) is tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate is CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)N.
What is the InChIKey of tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate?
The InChIKey is CCDGWMGDQSLCED-YGPZHTELSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-7(2)9(8(3)12)13-10(14)15-11(4,5)6/h7-9H,12H2,1-6H3,(H,13,14)/t8?,9-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate?
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate is sourced from PubChem (CID 83350039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).