ethyl 2-(3-aminopropanoylamino)propanoate

C8H16N2O3 — CID 61499067

IUPACethyl 2-(3-aminopropanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)CCN
InChIInChI=1S/C8H16N2O3/c1-3-13-8(12)6(2)10-7(11)4-5-9/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyHNGDZIKLLNWRTC-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.60
Rot. Bonds5

About ethyl 2-(3-aminopropanoylamino)propanoate

ethyl 2-(3-aminopropanoylamino)propanoate (PubChem CID 61499067) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 2-(3-aminopropanoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-aminopropanoylamino)propanoate
PubChem CID61499067
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl 2-(3-aminopropanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)CCN
InChIInChI=1S/C8H16N2O3/c1-3-13-8(12)6(2)10-7(11)4-5-9/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyHNGDZIKLLNWRTC-UHFFFAOYSA-N
XLogP-0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-aminohexanoylamino)propanoate
CID 82851561
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl (2S)-2-acetamidopropanoate
CID 11805045
ethyl (2S)-2-(3-oxododecanoylamino)propanoate
CID 50991278
3-amino-N-butan-2-ylpropanamide
CID 16784988
ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate
CID 61342753
methyl 2-(pentanoylamino)propanoate
CID 541659
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
pentyl 2-(pentanoylamino)propanoate
CID 6420533
ethyl 2-(3,5-dimethylhexanoylamino)propanoate
CID 71879687
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
CID 61343880
ethyl 2-(carbamothioylamino)propanoate
CID 61498979

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminopropanoylamino)propanoate?
The IUPAC name of ethyl 2-(3-aminopropanoylamino)propanoate (CID 61499067) is ethyl 2-(3-aminopropanoylamino)propanoate.
What is the SMILES notation for ethyl 2-(3-aminopropanoylamino)propanoate?
The canonical SMILES for ethyl 2-(3-aminopropanoylamino)propanoate is CCOC(=O)C(C)NC(=O)CCN.
What is the InChIKey of ethyl 2-(3-aminopropanoylamino)propanoate?
The InChIKey is HNGDZIKLLNWRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-13-8(12)6(2)10-7(11)4-5-9/h6H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-(3-aminopropanoylamino)propanoate?
ethyl 2-(3-aminopropanoylamino)propanoate has a molecular weight of 188.23 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminopropanoylamino)propanoate is sourced from PubChem (CID 61499067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).