methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate

C11H17N3O6 — CID 166760819

IUPACmethyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate
SMILESC=CC(=O)NCC(=O)NCC(=O)NC(CO)C(=O)OC
InChIInChI=1S/C11H17N3O6/c1-3-8(16)12-4-9(17)13-5-10(18)14-7(6-15)11(19)20-2/h3,7,15H,1,4-6H2,2H3,(H,12,16)(H,13,17)(H,14,18)
InChIKeyVZGZSEKOQUFHTO-UHFFFAOYSA-N
MW287.27 g/mol
LogP-2.95
Rot. Bonds8

About methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate

methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate (PubChem CID 166760819) has the molecular formula C11H17N3O6 and a molecular weight of 287.27 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate
PubChem CID166760819
Molecular FormulaC11H17N3O6
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Namemethyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate
SMILESC=CC(=O)NCC(=O)NCC(=O)NC(CO)C(=O)OC
InChIInChI=1S/C11H17N3O6/c1-3-8(16)12-4-9(17)13-5-10(18)14-7(6-15)11(19)20-2/h3,7,15H,1,4-6H2,2H3,(H,12,16)(H,13,17)(H,14,18)
InChIKeyVZGZSEKOQUFHTO-UHFFFAOYSA-N
XLogP-2.95
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-2.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate with MolForge

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Related Compounds

N-acryloyl serine methyl ester
CID 10844941
N-Acryloyl-L-serine
CID 28173751
Methyl glycyl-L-serinate
CID 106685
methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate
CID 21118178
(2R)-2-[[(2R)-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 91053745
Acetyl l-alanyl-l-serine methyl ester
CID 129707307
Serine, N-(N-carboxyglycyl)-, N-ethyl methyl ester, L-
CID 568409
3-Hydroxy-2-(prop-2-enoylamino)propanoic acid
CID 10176248
ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate
CID 12993310
Diethyl (acryloylamino)propanedioate
CID 15096432
3-Methoxy-2-(prop-2-enoylamino)propanoic acid
CID 17882647
Diethyl 2-[[2-[methyl(prop-2-enyl)amino]acetyl]amino]propanedioate
CID 21130084

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate (CID 166760819) is methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate is C=CC(=O)NCC(=O)NCC(=O)NC(CO)C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate?
The InChIKey is VZGZSEKOQUFHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6/c1-3-8(16)12-4-9(17)13-5-10(18)14-7(6-15)11(19)20-2/h3,7,15H,1,4-6H2,2H3,(H,12,16)(H,13,17)(H,14,18).
What are the key properties of methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate?
methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate has a molecular weight of 287.27 g/mol, XLogP of -2.95, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate is sourced from PubChem (CID 166760819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).