10-amino-3-methyldecanoic acid

C11H23NO2 — CID 2832731

IUPAC10-amino-3-methyldecanoic acid
SMILESCC(CCCCCCCN)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-10(9-11(13)14)7-5-3-2-4-6-8-12/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyHDWCZZMTHBIJEC-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.40
Rot. Bonds9

About 10-amino-3-methyldecanoic acid

10-amino-3-methyldecanoic acid (PubChem CID 2832731) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 10-amino-3-methyldecanoic acid.

Molecular Properties

Compound Name10-amino-3-methyldecanoic acid
PubChem CID2832731
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name10-amino-3-methyldecanoic acid
SMILESCC(CCCCCCCN)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-10(9-11(13)14)7-5-3-2-4-6-8-12/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyHDWCZZMTHBIJEC-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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

(3R)-3-methyltetradecanedioic acid
CID 142577447
(3S)-3-methylhexadecanoic acid
CID 54227409
3-methylicosanedioic acid
CID 87117627
3-methylnonadecanoic acid
CID 13392624
3-methyloctanoic acid
CID 5312327
3,7-diaminoheptanoic acid
CID 4695301
(3R)-3,7-diaminoheptanoic acid;dihydrochloride
CID 121234002
(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123
4-amino-3-methylbutanoic acid;2-methylpropane
CID 143811203
8-hydroxy-3,7-dimethyloctanoic acid
CID 22035520
7-amino-4-methylheptanoic acid
CID 57310581
hexane-1,6-diamine;2-methylpropanoic acid
CID 21426939

Frequently Asked Questions

What is the IUPAC name of 10-amino-3-methyldecanoic acid?
The IUPAC name of 10-amino-3-methyldecanoic acid (CID 2832731) is 10-amino-3-methyldecanoic acid.
What is the SMILES notation for 10-amino-3-methyldecanoic acid?
The canonical SMILES for 10-amino-3-methyldecanoic acid is CC(CCCCCCCN)CC(=O)O.
What is the InChIKey of 10-amino-3-methyldecanoic acid?
The InChIKey is HDWCZZMTHBIJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(9-11(13)14)7-5-3-2-4-6-8-12/h10H,2-9,12H2,1H3,(H,13,14).
What are the key properties of 10-amino-3-methyldecanoic acid?
10-amino-3-methyldecanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-3-methyldecanoic acid is sourced from PubChem (CID 2832731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).