tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate

C10H20N2O3 — CID 60864302

IUPACtert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNCCCC(N)=O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)7-12-6-4-5-8(11)13/h12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyUFVRAIXMENSSEK-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.18
Rot. Bonds6

About tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate

tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate (PubChem CID 60864302) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate
PubChem CID60864302
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNCCCC(N)=O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)7-12-6-4-5-8(11)13/h12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyUFVRAIXMENSSEK-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54383502
tert-butyl 3-[(5-amino-5-oxopentyl)amino]propanoate
CID 106238269
tert-butyl 2-(3-bromopropylamino)acetate
CID 87746649
tert-butyl 2-(octylamino)acetate
CID 78913453
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
tert-butyl 2-(pent-4-enylamino)acetate
CID 86171439
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673
tert-butyl 4-(propylamino)butanoate
CID 22329227
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate (CID 60864302) is tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate is CC(C)(C)OC(=O)CNCCCC(N)=O.
What is the InChIKey of tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate?
The InChIKey is UFVRAIXMENSSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)7-12-6-4-5-8(11)13/h12H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate?
tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate has a molecular weight of 216.28 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate is sourced from PubChem (CID 60864302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).