(2S,4R)-2-amino-4-pentylpentanedioic acid

C10H19NO4 — CID 10680281

IUPAC(2S,4R)-2-amino-4-pentylpentanedioic acid
SMILESCCCCC[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-2-3-4-5-7(9(12)13)6-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1
InChIKeyBKBDKDBPUAZQBT-SFYZADRCSA-N
MW217.26 g/mol
LogP1.07
Rot. Bonds8

About (2S,4R)-2-amino-4-pentylpentanedioic acid

(2S,4R)-2-amino-4-pentylpentanedioic acid (PubChem CID 10680281) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-pentylpentanedioic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-pentylpentanedioic acid
PubChem CID10680281
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(2S,4R)-2-amino-4-pentylpentanedioic acid
SMILESCCCCC[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-2-3-4-5-7(9(12)13)6-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1
InChIKeyBKBDKDBPUAZQBT-SFYZADRCSA-N
XLogP1.07
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-pentylpentanedioic acid?
The IUPAC name of (2S,4R)-2-amino-4-pentylpentanedioic acid (CID 10680281) is (2S,4R)-2-amino-4-pentylpentanedioic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-pentylpentanedioic acid?
The canonical SMILES for (2S,4R)-2-amino-4-pentylpentanedioic acid is CCCCC[C@H](C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-pentylpentanedioic acid?
The InChIKey is BKBDKDBPUAZQBT-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-3-4-5-7(9(12)13)6-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-pentylpentanedioic acid?
(2S,4R)-2-amino-4-pentylpentanedioic acid has a molecular weight of 217.26 g/mol, XLogP of 1.07, 8 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-pentylpentanedioic acid is sourced from PubChem (CID 10680281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).