bis(prop-2-enyl) 2-aminobutanedioate

C10H15NO4 — CID 3883747

IUPACbis(prop-2-enyl) 2-aminobutanedioate
SMILESC=CCOC(=O)CC(N)C(=O)OCC=C
InChIInChI=1S/C10H15NO4/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h3-4,8H,1-2,5-7,11H2
InChIKeyNQVIFPLPIPVVHM-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.16
Rot. Bonds7

About bis(prop-2-enyl) 2-aminobutanedioate

bis(prop-2-enyl) 2-aminobutanedioate (PubChem CID 3883747) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is bis(prop-2-enyl) 2-aminobutanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2-aminobutanedioate
PubChem CID3883747
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namebis(prop-2-enyl) 2-aminobutanedioate
SMILESC=CCOC(=O)CC(N)C(=O)OCC=C
InChIInChI=1S/C10H15NO4/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h3-4,8H,1-2,5-7,11H2
InChIKeyNQVIFPLPIPVVHM-UHFFFAOYSA-N
XLogP0.16
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid
CID 142645674
2-amino-4-oxo-4-prop-2-enoxybutanoic acid;hydrochloride
CID 71340217
bis(prop-2-enyl) (2R)-2-aminopentanedioate
CID 87603171
prop-2-enyl (3S)-3-amino-4-(dimethylamino)-4-oxobutanoate
CID 167139878
1-O-benzyl 4-O-prop-2-enyl (2R)-2-aminobutanedioate
CID 11780340
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl 3-hydroxybutanoate
CID 14360290
CID 173441278
CID 173441278
6-O-tert-butyl 1-O-prop-2-enyl 4-amino-2-hydroxy-3-oxohexanedioate
CID 174397044
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 86346309
prop-2-enyl (3R)-3-hydroxy-4-methylpentanoate
CID 11073867

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2-aminobutanedioate?
The IUPAC name of bis(prop-2-enyl) 2-aminobutanedioate (CID 3883747) is bis(prop-2-enyl) 2-aminobutanedioate.
What is the SMILES notation for bis(prop-2-enyl) 2-aminobutanedioate?
The canonical SMILES for bis(prop-2-enyl) 2-aminobutanedioate is C=CCOC(=O)CC(N)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 2-aminobutanedioate?
The InChIKey is NQVIFPLPIPVVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h3-4,8H,1-2,5-7,11H2.
What are the key properties of bis(prop-2-enyl) 2-aminobutanedioate?
bis(prop-2-enyl) 2-aminobutanedioate has a molecular weight of 213.23 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2-aminobutanedioate is sourced from PubChem (CID 3883747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).