tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate

C7H15N3O3 — CID 46900001

IUPACtert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)N(N)CC(N)=O
InChIInChI=1S/C7H15N3O3/c1-7(2,3)13-6(12)10(9)4-5(8)11/h4,9H2,1-3H3,(H2,8,11)
InChIKeySHFQIZTWKLGIMU-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.42
Rot. Bonds2

About tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate

tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate (PubChem CID 46900001) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
PubChem CID46900001
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Nametert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)N(N)CC(N)=O
InChIInChI=1S/C7H15N3O3/c1-7(2,3)13-6(12)10(9)4-5(8)11/h4,9H2,1-3H3,(H2,8,11)
InChIKeySHFQIZTWKLGIMU-UHFFFAOYSA-N
XLogP-0.42
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135140582
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
tert-butyl N-amino-N-but-2-ynylcarbamate
CID 91623321
tert-butyl N-amino-N-[(E)-but-2-enyl]carbamate
CID 131234947
tert-butyl N-amino-N-(3,3-dichloroprop-2-enyl)carbamate
CID 87494656
azane;tert-butyl acetate;guanidine
CID 174950483
tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate
CID 102313747
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
CID 151301292
2-[[(2Z)-2-amino-2-hydroxyiminoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 10562427
tert-butyl 2-[amino(methyl)amino]acetate
CID 11805056

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate (CID 46900001) is tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate is CC(C)(C)OC(=O)N(N)CC(N)=O.
What is the InChIKey of tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate?
The InChIKey is SHFQIZTWKLGIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-7(2,3)13-6(12)10(9)4-5(8)11/h4,9H2,1-3H3,(H2,8,11).
What are the key properties of tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate?
tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate has a molecular weight of 189.21 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate is sourced from PubChem (CID 46900001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).