8-amino-7-formylnonanoic acid

C10H19NO3 — CID 174351588

IUPAC8-amino-7-formylnonanoic acid
SMILESCC(N)C(C=O)CCCCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-8(11)9(7-12)5-3-2-4-6-10(13)14/h7-9H,2-6,11H2,1H3,(H,13,14)
InChIKeyPCAHQVNYZIEYQU-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.18
Rot. Bonds8

About 8-amino-7-formylnonanoic acid

8-amino-7-formylnonanoic acid (PubChem CID 174351588) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 8-amino-7-formylnonanoic acid.

Molecular Properties

Compound Name8-amino-7-formylnonanoic acid
PubChem CID174351588
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name8-amino-7-formylnonanoic acid
SMILESCC(N)C(C=O)CCCCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-8(11)9(7-12)5-3-2-4-6-10(13)14/h7-9H,2-6,11H2,1H3,(H,13,14)
InChIKeyPCAHQVNYZIEYQU-UHFFFAOYSA-N
XLogP1.18
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
(6S)-6-aminoheptanoic acid
CID 54134193
6,12-diaminoheptadecanedioic acid
CID 23455605
9-formyloctadecanedioic acid
CID 118354608
16-methylheptadecanoic acid
CID 87200881
19-methylheptatriacontanedioic acid
CID 141009772
5-aminododecanedioic acid
CID 3835680
7-amino-6-methyloctanoic acid;chloromethane
CID 175463739
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
19-hydroxyicosanoic acid
CID 14535566
8-methylnonanoic acid;zinc
CID 175431403

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-formylnonanoic acid?
The IUPAC name of 8-amino-7-formylnonanoic acid (CID 174351588) is 8-amino-7-formylnonanoic acid.
What is the SMILES notation for 8-amino-7-formylnonanoic acid?
The canonical SMILES for 8-amino-7-formylnonanoic acid is CC(N)C(C=O)CCCCCC(=O)O.
What is the InChIKey of 8-amino-7-formylnonanoic acid?
The InChIKey is PCAHQVNYZIEYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(11)9(7-12)5-3-2-4-6-10(13)14/h7-9H,2-6,11H2,1H3,(H,13,14).
What are the key properties of 8-amino-7-formylnonanoic acid?
8-amino-7-formylnonanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-formylnonanoic acid is sourced from PubChem (CID 174351588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).