bis(prop-2-enyl) (2R)-2-aminopentanedioate

C11H17NO4 — CID 87603171

IUPACbis(prop-2-enyl) (2R)-2-aminopentanedioate
SMILESC=CCOC(=O)CC[C@@H](N)C(=O)OCC=C
InChIInChI=1S/C11H17NO4/c1-3-7-15-10(13)6-5-9(12)11(14)16-8-4-2/h3-4,9H,1-2,5-8,12H2/t9-/m1/s1
InChIKeyJQTAOTLIRWYSFQ-SECBINFHSA-N
MW227.26 g/mol
LogP0.55
Rot. Bonds8

About bis(prop-2-enyl) (2R)-2-aminopentanedioate

bis(prop-2-enyl) (2R)-2-aminopentanedioate (PubChem CID 87603171) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is bis(prop-2-enyl) (2R)-2-aminopentanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) (2R)-2-aminopentanedioate
PubChem CID87603171
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namebis(prop-2-enyl) (2R)-2-aminopentanedioate
SMILESC=CCOC(=O)CC[C@@H](N)C(=O)OCC=C
InChIInChI=1S/C11H17NO4/c1-3-7-15-10(13)6-5-9(12)11(14)16-8-4-2/h3-4,9H,1-2,5-8,12H2/t9-/m1/s1
InChIKeyJQTAOTLIRWYSFQ-SECBINFHSA-N
XLogP0.55
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.55
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

bis(prop-2-enyl) 2-aminobutanedioate
CID 3883747
(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid
CID 71377128
prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 86346309
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid
CID 142645674
CID 173441278
CID 173441278
2-amino-4-oxo-4-prop-2-enoxybutanoic acid;hydrochloride
CID 71340217
prop-2-enyl 2-aminopropanoate
CID 91515395
1-O-tert-butyl 5-O-prop-2-enyl (2R)-2-hydroxypentanedioate
CID 10562250
bis(prop-2-enyl) 3-ethyl-4-methylheptanedioate
CID 87396382
prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate
CID 23330193
prop-2-enyl 4-hydroxybutanoate
CID 11367059

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) (2R)-2-aminopentanedioate?
The IUPAC name of bis(prop-2-enyl) (2R)-2-aminopentanedioate (CID 87603171) is bis(prop-2-enyl) (2R)-2-aminopentanedioate.
What is the SMILES notation for bis(prop-2-enyl) (2R)-2-aminopentanedioate?
The canonical SMILES for bis(prop-2-enyl) (2R)-2-aminopentanedioate is C=CCOC(=O)CC[C@@H](N)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) (2R)-2-aminopentanedioate?
The InChIKey is JQTAOTLIRWYSFQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-7-15-10(13)6-5-9(12)11(14)16-8-4-2/h3-4,9H,1-2,5-8,12H2/t9-/m1/s1.
What are the key properties of bis(prop-2-enyl) (2R)-2-aminopentanedioate?
bis(prop-2-enyl) (2R)-2-aminopentanedioate has a molecular weight of 227.26 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) (2R)-2-aminopentanedioate is sourced from PubChem (CID 87603171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).