ethyl 3-[acetyl(dimethylamino)amino]propanoate

C9H18N2O3 — CID 3024684

IUPACethyl 3-[acetyl(dimethylamino)amino]propanoate
SMILESCCOC(=O)CCN(C(C)=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-5-14-9(13)6-7-11(8(2)12)10(3)4/h5-7H2,1-4H3
InChIKeySEWJNNOGQYVCQN-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.26
Rot. Bonds5

About ethyl 3-[acetyl(dimethylamino)amino]propanoate

ethyl 3-[acetyl(dimethylamino)amino]propanoate (PubChem CID 3024684) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-[acetyl(dimethylamino)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[acetyl(dimethylamino)amino]propanoate
PubChem CID3024684
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 3-[acetyl(dimethylamino)amino]propanoate
SMILESCCOC(=O)CCN(C(C)=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-5-14-9(13)6-7-11(8(2)12)10(3)4/h5-7H2,1-4H3
InChIKeySEWJNNOGQYVCQN-UHFFFAOYSA-N
XLogP0.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
ethyl 3-[hydroxy(oxido)amino]propanoate
CID 163126069
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
CID 62326480
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
CID 88807470
CID 88807470
ethyl 3-[2-fluoropropyl(methyl)amino]propanoate
CID 44521775
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
ethyl 3-(propan-2-ylideneamino)oxypropanoate
CID 15627856
ethyl 7-(dimethylamino)heptanoate
CID 170069476
ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
CID 55207593

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[acetyl(dimethylamino)amino]propanoate?
The IUPAC name of ethyl 3-[acetyl(dimethylamino)amino]propanoate (CID 3024684) is ethyl 3-[acetyl(dimethylamino)amino]propanoate.
What is the SMILES notation for ethyl 3-[acetyl(dimethylamino)amino]propanoate?
The canonical SMILES for ethyl 3-[acetyl(dimethylamino)amino]propanoate is CCOC(=O)CCN(C(C)=O)N(C)C.
What is the InChIKey of ethyl 3-[acetyl(dimethylamino)amino]propanoate?
The InChIKey is SEWJNNOGQYVCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-14-9(13)6-7-11(8(2)12)10(3)4/h5-7H2,1-4H3.
What are the key properties of ethyl 3-[acetyl(dimethylamino)amino]propanoate?
ethyl 3-[acetyl(dimethylamino)amino]propanoate has a molecular weight of 202.25 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[acetyl(dimethylamino)amino]propanoate is sourced from PubChem (CID 3024684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).