ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate

C8H16N2O3 — CID 57092774

IUPACethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)[C@H](C)N
InChIInChI=1S/C8H16N2O3/c1-3-13-7(11)4-5-10-8(12)6(2)9/h6H,3-5,9H2,1-2H3,(H,10,12)/t6-/m0/s1
InChIKeyQTUAMIMRXOGIGN-LURJTMIESA-N
MW188.23 g/mol
LogP-0.60
Rot. Bonds5

About ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate

ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate (PubChem CID 57092774) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate
PubChem CID57092774
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)[C@H](C)N
InChIInChI=1S/C8H16N2O3/c1-3-13-7(11)4-5-10-8(12)6(2)9/h6H,3-5,9H2,1-2H3,(H,10,12)/t6-/m0/s1
InChIKeyQTUAMIMRXOGIGN-LURJTMIESA-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

N-(propan-2-yl)-N'-[3-(propan-2-yloxy)propyl]ethanediamide
CID 2291413
Methyl 3-[2-(dimethylamino)acetamido]propanoate
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ethyl (3S)-3-acetamidobutanoate
CID 10678795
l-Alanylglycine ethyl ester
CID 10725907
Ctk4D9680
CID 11321237
Butanoic acid, 3-(acetylamino)-, ethyl ester
CID 11672745
Ethyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 14331237
Ethyl 3-[2-(dimethylamino)ethylamino]-3-oxopropanoate
CID 15256892
Propan-2-yl 3-acetamidobutanoate
CID 22460006
propan-2-yl (3R)-3-acetamidobutanoate
CID 92002874
Methyl 3-[(2-aminoacetyl)amino]-4-fluorobutanoate
CID 20508335
Ethyl 3-(propanoylamino)propanoate
CID 44769637

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate?
The IUPAC name of ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate (CID 57092774) is ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate is CCOC(=O)CCNC(=O)[C@H](C)N.
What is the InChIKey of ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate?
The InChIKey is QTUAMIMRXOGIGN-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-13-7(11)4-5-10-8(12)6(2)9/h6H,3-5,9H2,1-2H3,(H,10,12)/t6-/m0/s1.
What are the key properties of ethyl 3-[[(2S)-2-aminopropanoyl]amino]propanoate?
ethyl 3-[[(2S)-2-aminopropanoyl]amino]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 3-[[(2S)-2-aminopropanoyl]amino]propanoate is sourced from PubChem (CID 57092774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).