ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate

C9H18N2O3 — CID 61218283

IUPACethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC(C)(C)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-4-14-7(12)5-6-11-9(2,3)8(10)13/h11H,4-6H2,1-3H3,(H2,10,13)
InChIKeyIENPLBKQXIFJOA-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds6

About ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate

ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate (PubChem CID 61218283) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
PubChem CID61218283
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC(C)(C)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-4-14-7(12)5-6-11-9(2,3)8(10)13/h11H,4-6H2,1-3H3,(H2,10,13)
InChIKeyIENPLBKQXIFJOA-UHFFFAOYSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
CID 106276054
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate
CID 107445555
2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
CID 114991128
ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate
CID 177138587
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 3-(methylamino)propanoate;methane
CID 159702101
ethyl 3-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]propanoate
CID 54951322
ethyl 4-(ethylamino)-4-methylpentanoate
CID 89155983
ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
CID 65267148
2-ethoxyethyl 3-(tert-butylamino)propanoate
CID 61277005
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
ethyl 5-amino-4,4-difluoro-5-oxopentanoate
CID 86647023

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate (CID 61218283) is ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate is CCOC(=O)CCNC(C)(C)C(N)=O.
What is the InChIKey of ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate?
The InChIKey is IENPLBKQXIFJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-14-7(12)5-6-11-9(2,3)8(10)13/h11H,4-6H2,1-3H3,(H2,10,13).
What are the key properties of ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate?
ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate is sourced from PubChem (CID 61218283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).