(2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid

C10H17NO4 — CID 10632449

IUPAC(2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid
SMILESCC/C=C/C[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-3-4-5-7(9(12)13)6-8(11)10(14)15/h3-4,7-8H,2,5-6,11H2,1H3,(H,12,13)(H,14,15)/b4-3+/t7-,8+/m1/s1
InChIKeyXSRXVSSLMORSDB-ZGNIKFQOSA-N
MW215.25 g/mol
LogP0.85
Rot. Bonds7

About (2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid

(2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid (PubChem CID 10632449) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid
PubChem CID10632449
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid
SMILESCC/C=C/C[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-3-4-5-7(9(12)13)6-8(11)10(14)15/h3-4,7-8H,2,5-6,11H2,1H3,(H,12,13)(H,14,15)/b4-3+/t7-,8+/m1/s1
InChIKeyXSRXVSSLMORSDB-ZGNIKFQOSA-N
XLogP0.85
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid?
The IUPAC name of (2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid (CID 10632449) is (2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid?
The canonical SMILES for (2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid is CC/C=C/C[C@H](C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid?
The InChIKey is XSRXVSSLMORSDB-ZGNIKFQOSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-3-4-5-7(9(12)13)6-8(11)10(14)15/h3-4,7-8H,2,5-6,11H2,1H3,(H,12,13)(H,14,15)/b4-3+/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid?
(2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid has a molecular weight of 215.25 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-4-[(E)-pent-2-enyl]pentanedioic acid is sourced from PubChem (CID 10632449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).