ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate

C10H20N2O3 — CID 106276054

IUPACethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
SMILESCCOC(=O)CCNCC(C)(C)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-4-15-8(13)5-6-12-7-10(2,3)9(11)14/h12H,4-7H2,1-3H3,(H2,11,14)
InChIKeyTZYQMCVVFZCCMC-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.04
Rot. Bonds7

About ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate

ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate (PubChem CID 106276054) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
PubChem CID106276054
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
SMILESCCOC(=O)CCNCC(C)(C)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-4-15-8(13)5-6-12-7-10(2,3)9(11)14/h12H,4-7H2,1-3H3,(H2,11,14)
InChIKeyTZYQMCVVFZCCMC-UHFFFAOYSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
CID 61218283
3-(2-methoxyethylamino)-2,2-dimethylpropanamide
CID 106276159
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate
CID 107445555
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
ethyl 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanoate
CID 106175942
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate
CID 106276443
3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
CID 106276316
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
ethyl 3-(2-hydroxypropylamino)propanoate
CID 43389838
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 3-(octylamino)propanoate
CID 46318537
ethyl 3-(methylamino)propanoate;methane
CID 159702101

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate?
The IUPAC name of ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate (CID 106276054) is ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate is CCOC(=O)CCNCC(C)(C)C(N)=O.
What is the InChIKey of ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate?
The InChIKey is TZYQMCVVFZCCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-15-8(13)5-6-12-7-10(2,3)9(11)14/h12H,4-7H2,1-3H3,(H2,11,14).
What are the key properties of ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate?
ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate has a molecular weight of 216.28 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 106276054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).