tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate

C9H21N3O2 — CID 170622454

IUPACtert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
SMILESCC(N)(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H21N3O2/c1-8(2,3)14-7(13)12-6-9(4,11)5-10/h5-6,10-11H2,1-4H3,(H,12,13)
InChIKeyZWWWSTATAIECEU-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.19
Rot. Bonds3

About tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate

tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate (PubChem CID 170622454) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
PubChem CID170622454
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Nametert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
SMILESCC(N)(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H21N3O2/c1-8(2,3)14-7(13)12-6-9(4,11)5-10/h5-6,10-11H2,1-4H3,(H,12,13)
InChIKeyZWWWSTATAIECEU-UHFFFAOYSA-N
XLogP0.19
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
CID 154779852
tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate
CID 84726317
tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
CID 178201471
(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 153408462
tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate
CID 72943143
N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 139270387
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-(4-amino-3-oxobutyl)carbamate
CID 96619413
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate (CID 170622454) is tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate is CC(N)(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate?
The InChIKey is ZWWWSTATAIECEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-8(2,3)14-7(13)12-6-9(4,11)5-10/h5-6,10-11H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate?
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate has a molecular weight of 203.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate is sourced from PubChem (CID 170622454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).