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

C7H14N2O3 — CID 10725907

IUPACethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@H](C)N
InChIInChI=1S/C7H14N2O3/c1-3-12-6(10)4-9-7(11)5(2)8/h5H,3-4,8H2,1-2H3,(H,9,11)/t5-/m0/s1
InChIKeyLYLNMMLPOPFZGG-YFKPBYRVSA-N
MW174.20 g/mol
LogP-0.99
Rot. Bonds4

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

ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate (PubChem CID 10725907) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate
PubChem CID10725907
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Nameethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@H](C)N
InChIInChI=1S/C7H14N2O3/c1-3-12-6(10)4-9-7(11)5(2)8/h5H,3-4,8H2,1-2H3,(H,9,11)/t5-/m0/s1
InChIKeyLYLNMMLPOPFZGG-YFKPBYRVSA-N
XLogP-0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-Alanyl-L-alanine
CID 5484352
D-Alanyl-D-Alanine
CID 5460362
(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
Ala-Gly
CID 6998029
{[(2S)-2-ammoniopropanoyl]amino}acetate
CID 6998028
Ethyl acetamidocyanoacetate
CID 95422
Ala-Ala zwitterion
CID 6992372
D,L-Alanylglycylglycine
CID 136714
Methyl (propionylamino)acetate
CID 533879
DL-Alanyl-DL-alanine
CID 601
Ethyl 2-(2-aminoacetamido)acetate hydrochloride
CID 2827263
alanyl-D-alanine
CID 96796

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate (CID 10725907) is ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate is CCOC(=O)CNC(=O)[C@H](C)N.
What is the InChIKey of ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate?
The InChIKey is LYLNMMLPOPFZGG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-12-6(10)4-9-7(11)5(2)8/h5H,3-4,8H2,1-2H3,(H,9,11)/t5-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate?
ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate has a molecular weight of 174.20 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-aminopropanoyl]amino]acetate is sourced from PubChem (CID 10725907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).