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

C9H18N2O3 — CID 61464453

IUPACethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCCOC(=O)CCNC(C)C(=O)NC
InChIInChI=1S/C9H18N2O3/c1-4-14-8(12)5-6-11-7(2)9(13)10-3/h7,11H,4-6H2,1-3H3,(H,10,13)
InChIKeyHPEGUNANHZCWJT-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.34
Rot. Bonds6

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

ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate (PubChem CID 61464453) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
PubChem CID61464453
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCCOC(=O)CCNC(C)C(=O)NC
InChIInChI=1S/C9H18N2O3/c1-4-14-8(12)5-6-11-7(2)9(13)10-3/h7,11H,4-6H2,1-3H3,(H,10,13)
InChIKeyHPEGUNANHZCWJT-UHFFFAOYSA-N
XLogP-0.34
TPSA67.43 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 ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671956
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
ethyl 4-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60677364
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670
ethyl 3-(methylamino)propanoate;methane
CID 159702101
ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
CID 61246589
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62668583
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811365

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate (CID 61464453) is ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate is CCOC(=O)CCNC(C)C(=O)NC.
What is the InChIKey of ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is HPEGUNANHZCWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-14-8(12)5-6-11-7(2)9(13)10-3/h7,11H,4-6H2,1-3H3,(H,10,13).
What are the key properties of ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 61464453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).