tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate

C9H18N2O3 — CID 23446090

IUPACtert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate
SMILESCC(CNC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-6(7(10)12)5-11-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyPFAQHEWBPXANNT-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.63
Rot. Bonds3

About tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate

tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate (PubChem CID 23446090) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate
PubChem CID23446090
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate
SMILESCC(CNC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-6(7(10)12)5-11-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyPFAQHEWBPXANNT-UHFFFAOYSA-N
XLogP0.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate (CID 23446090) is tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate is CC(CNC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate?
The InChIKey is PFAQHEWBPXANNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(7(10)12)5-11-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H2,10,12)(H,11,13).
What are the key properties of tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate?
tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate is sourced from PubChem (CID 23446090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).