tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate

C11H24N2O2 — CID 87428615

IUPACtert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
SMILESCCC(C)[C@@H](N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-6-8(2)9(12)7-13-10(14)15-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyBFCMNWXASVSVGJ-GKAPJAKFSA-N
MW216.32 g/mol
LogP1.88
Rot. Bonds4

About tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate

tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate (PubChem CID 87428615) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
PubChem CID87428615
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
SMILESCCC(C)[C@@H](N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-6-8(2)9(12)7-13-10(14)15-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyBFCMNWXASVSVGJ-GKAPJAKFSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[(2R,3S)-2-(hydroxymethyl)-3-methylpentyl]carbamate
CID 75365792
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
CID 170234011
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
(2S,3R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 170324180
tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate
CID 91490208

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate (CID 87428615) is tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate is CCC(C)[C@@H](N)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate?
The InChIKey is BFCMNWXASVSVGJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-6-8(2)9(12)7-13-10(14)15-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate?
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate is sourced from PubChem (CID 87428615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).