2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid

C11H18N2O3 — CID 116678360

IUPAC2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(C)C1CNC1
InChIInChI=1S/C11H18N2O3/c1-3-4-13(7-10(14)15)11(16)8(2)9-5-12-6-9/h3,8-9,12H,1,4-7H2,2H3,(H,14,15)
InChIKeyAMBYZAKMDVTHJA-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.06
Rot. Bonds6

About 2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid

2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid (PubChem CID 116678360) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
PubChem CID116678360
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(C)C1CNC1
InChIInChI=1S/C11H18N2O3/c1-3-4-13(7-10(14)15)11(16)8(2)9-5-12-6-9/h3,8-9,12H,1,4-7H2,2H3,(H,14,15)
InChIKeyAMBYZAKMDVTHJA-UHFFFAOYSA-N
XLogP-0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid
CID 81043537
2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
CID 79265150
ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate
CID 79506559
2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 104903696
2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
CID 79263608
2-[[(2S,3S)-2-amino-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263366
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 79262135
2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid
CID 107570062
2-[piperidine-3-carbonyl(prop-2-enyl)amino]acetic acid
CID 79265013
2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid
CID 79285826
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid (CID 116678360) is 2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)C(C)C1CNC1.
What is the InChIKey of 2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid?
The InChIKey is AMBYZAKMDVTHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-4-13(7-10(14)15)11(16)8(2)9-5-12-6-9/h3,8-9,12H,1,4-7H2,2H3,(H,14,15).
What are the key properties of 2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid?
2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid has a molecular weight of 226.28 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 116678360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).