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

C8H16N2O3 — CID 14331237

IUPACethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C8H16N2O3/c1-4-13-8(12)6(3)10-7(11)5(2)9/h5-6H,4,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyLVDZTPCFSHSXMK-WDSKDSINSA-N
MW188.23 g/mol
LogP-0.60
Rot. Bonds4

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

ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate (PubChem CID 14331237) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
PubChem CID14331237
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C8H16N2O3/c1-4-13-8(12)6(3)10-7(11)5(2)9/h5-6H,4,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyLVDZTPCFSHSXMK-WDSKDSINSA-N
XLogP-0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
The IUPAC name of ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate (CID 14331237) is ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate is CCOC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
The InChIKey is LVDZTPCFSHSXMK-WDSKDSINSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-13-8(12)6(3)10-7(11)5(2)9/h5-6H,4,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate has a molecular weight of 188.23 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate is sourced from PubChem (CID 14331237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).