(2S)-2-aminonon-8-enoic acid

C9H17NO2 — CID 16655537

IUPAC(2S)-2-aminonon-8-enoic acid
SMILESC=CCCCCC[C@H](N)C(=O)O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8(10)9(11)12/h2,8H,1,3-7,10H2,(H,11,12)/t8-/m0/s1
InChIKeyLKMSSWRWDBZUFC-QMMMGPOBSA-N
MW171.24 g/mol
LogP1.53
Rot. Bonds7

About (2S)-2-aminonon-8-enoic acid

(2S)-2-aminonon-8-enoic acid (PubChem CID 16655537) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-aminonon-8-enoic acid.

Molecular Properties

Compound Name(2S)-2-aminonon-8-enoic acid
PubChem CID16655537
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-2-aminonon-8-enoic acid
SMILESC=CCCCCC[C@H](N)C(=O)O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8(10)9(11)12/h2,8H,1,3-7,10H2,(H,11,12)/t8-/m0/s1
InChIKeyLKMSSWRWDBZUFC-QMMMGPOBSA-N
XLogP1.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminonon-8-enoic acid?
The IUPAC name of (2S)-2-aminonon-8-enoic acid (CID 16655537) is (2S)-2-aminonon-8-enoic acid.
What is the SMILES notation for (2S)-2-aminonon-8-enoic acid?
The canonical SMILES for (2S)-2-aminonon-8-enoic acid is C=CCCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminonon-8-enoic acid?
The InChIKey is LKMSSWRWDBZUFC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8(10)9(11)12/h2,8H,1,3-7,10H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-aminonon-8-enoic acid?
(2S)-2-aminonon-8-enoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminonon-8-enoic acid is sourced from PubChem (CID 16655537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).