10-aminoundecanoic acid

C11H23NO2 — CID 3771397

IUPAC10-aminoundecanoic acid
SMILESCC(N)CCCCCCCCC(=O)O
InChIInChI=1S/C11H23NO2/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyDWHXNKJKNIHNOI-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.54
Rot. Bonds9

About 10-aminoundecanoic acid

10-aminoundecanoic acid (PubChem CID 3771397) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 10-aminoundecanoic acid.

Molecular Properties

Compound Name10-aminoundecanoic acid
PubChem CID3771397
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name10-aminoundecanoic acid
SMILESCC(N)CCCCCCCCC(=O)O
InChIInChI=1S/C11H23NO2/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyDWHXNKJKNIHNOI-UHFFFAOYSA-N
XLogP2.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

14-aminopentadecanoic acid
CID 87306551
(6S)-6-aminoheptanoic acid
CID 54134193
bis(hexan-2-amine);hexanedioic acid
CID 174667104
6,12-diaminoheptadecanedioic acid
CID 23455605
19-methylheptatriacontanedioic acid
CID 141009772
16-methylheptadecanoic acid
CID 87200881
5-aminododecanedioic acid
CID 3835680
8-methylnonanoic acid;zinc
CID 175431403
azane;16-methylheptadecanoic acid
CID 161380406
20-hydroxyhenicosanoic acid
CID 19591814
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
sodium;hydride;6-methylheptanoic acid
CID 174475906

Frequently Asked Questions

What is the IUPAC name of 10-aminoundecanoic acid?
The IUPAC name of 10-aminoundecanoic acid (CID 3771397) is 10-aminoundecanoic acid.
What is the SMILES notation for 10-aminoundecanoic acid?
The canonical SMILES for 10-aminoundecanoic acid is CC(N)CCCCCCCCC(=O)O.
What is the InChIKey of 10-aminoundecanoic acid?
The InChIKey is DWHXNKJKNIHNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h10H,2-9,12H2,1H3,(H,13,14).
What are the key properties of 10-aminoundecanoic acid?
10-aminoundecanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-aminoundecanoic acid is sourced from PubChem (CID 3771397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).