(2-amino-2-cyanopropyl) N-tert-butylcarbamate

C9H17N3O2 — CID 177248875

IUPAC(2-amino-2-cyanopropyl) N-tert-butylcarbamate
SMILESCC(N)(C#N)COC(=O)NC(C)(C)C
InChIInChI=1S/C9H17N3O2/c1-8(2,3)12-7(13)14-6-9(4,11)5-10/h6,11H2,1-4H3,(H,12,13)
InChIKeyWZBRGHPLICCABQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.75
Rot. Bonds2

About (2-amino-2-cyanopropyl) N-tert-butylcarbamate

(2-amino-2-cyanopropyl) N-tert-butylcarbamate (PubChem CID 177248875) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2-amino-2-cyanopropyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-amino-2-cyanopropyl) N-tert-butylcarbamate
PubChem CID177248875
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(2-amino-2-cyanopropyl) N-tert-butylcarbamate
SMILESCC(N)(C#N)COC(=O)NC(C)(C)C
InChIInChI=1S/C9H17N3O2/c1-8(2,3)12-7(13)14-6-9(4,11)5-10/h6,11H2,1-4H3,(H,12,13)
InChIKeyWZBRGHPLICCABQ-UHFFFAOYSA-N
XLogP0.75
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride
CID 88790067
[(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate
CID 175162000
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
CID 143586644
2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 139295027
ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087
(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
CID 175489678
(1,1,1-trichloro-2-methylpropan-2-yl) N-tert-butylcarbamate
CID 58798525

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-cyanopropyl) N-tert-butylcarbamate?
The IUPAC name of (2-amino-2-cyanopropyl) N-tert-butylcarbamate (CID 177248875) is (2-amino-2-cyanopropyl) N-tert-butylcarbamate.
What is the SMILES notation for (2-amino-2-cyanopropyl) N-tert-butylcarbamate?
The canonical SMILES for (2-amino-2-cyanopropyl) N-tert-butylcarbamate is CC(N)(C#N)COC(=O)NC(C)(C)C.
What is the InChIKey of (2-amino-2-cyanopropyl) N-tert-butylcarbamate?
The InChIKey is WZBRGHPLICCABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-8(2,3)12-7(13)14-6-9(4,11)5-10/h6,11H2,1-4H3,(H,12,13).
What are the key properties of (2-amino-2-cyanopropyl) N-tert-butylcarbamate?
(2-amino-2-cyanopropyl) N-tert-butylcarbamate has a molecular weight of 199.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-cyanopropyl) N-tert-butylcarbamate is sourced from PubChem (CID 177248875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).