2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid

C9H16N2O4 — CID 106108807

IUPAC2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
SMILESC=CCNCC(=O)NCC(OC)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-4-10-6-8(12)11-5-7(15-2)9(13)14/h3,7,10H,1,4-6H2,2H3,(H,11,12)(H,13,14)
InChIKeyUVXFGLWUCXUEMO-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.02
Rot. Bonds8

About 2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid

2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid (PubChem CID 106108807) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
PubChem CID106108807
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
SMILESC=CCNCC(=O)NCC(OC)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-4-10-6-8(12)11-5-7(15-2)9(13)14/h3,7,10H,1,4-6H2,2H3,(H,11,12)(H,13,14)
InChIKeyUVXFGLWUCXUEMO-UHFFFAOYSA-N
XLogP-1.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid
CID 106108860
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714
3-(but-3-en-2-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110511
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 79278573
2-methoxy-3-(3-methylpentanoylamino)propanoic acid
CID 106107442
3-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]butanoic acid
CID 79279619
(2R)-3-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]butanoic acid
CID 79278244
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 79277951
2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid
CID 106108102
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106110671

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid (CID 106108807) is 2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid is C=CCNCC(=O)NCC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid?
The InChIKey is UVXFGLWUCXUEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-3-4-10-6-8(12)11-5-7(15-2)9(13)14/h3,7,10H,1,4-6H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid?
2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 106108807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).