5-(methylamino)octanoic acid

C9H19NO2 — CID 116953071

IUPAC5-(methylamino)octanoic acid
SMILESCCCC(CCCC(=O)O)NC
InChIInChI=1S/C9H19NO2/c1-3-5-8(10-2)6-4-7-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyPMDUOWNZSNQXBV-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.63
Rot. Bonds7

About 5-(methylamino)octanoic acid

5-(methylamino)octanoic acid (PubChem CID 116953071) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-(methylamino)octanoic acid.

Molecular Properties

Compound Name5-(methylamino)octanoic acid
PubChem CID116953071
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-(methylamino)octanoic acid
SMILESCCCC(CCCC(=O)O)NC
InChIInChI=1S/C9H19NO2/c1-3-5-8(10-2)6-4-7-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyPMDUOWNZSNQXBV-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60996531
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CID 82845875
(2R)-2-(hexan-3-ylcarbamoylamino)hexanedioic acid
CID 107839582
hexanoic acid;1-(methylamino)ethanol
CID 173051508
6-(octan-4-ylcarbamoylamino)hexanoic acid
CID 106020478
3-(octan-4-ylcarbamoylamino)propanoic acid
CID 106020663
docosanoic acid;N-methylmethanamine
CID 87854967
5-hydroxydecanoic acid
CID 161390265
(5S)-5-hydroxydecanoic acid
CID 6604110
8-methoxy-N,8-dimethylnonan-4-amine
CID 103034544
4-(hexan-3-ylamino)-4-oxobutanoic acid
CID 62118536
CID 57488644
CID 57488644

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)octanoic acid?
The IUPAC name of 5-(methylamino)octanoic acid (CID 116953071) is 5-(methylamino)octanoic acid.
What is the SMILES notation for 5-(methylamino)octanoic acid?
The canonical SMILES for 5-(methylamino)octanoic acid is CCCC(CCCC(=O)O)NC.
What is the InChIKey of 5-(methylamino)octanoic acid?
The InChIKey is PMDUOWNZSNQXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-5-8(10-2)6-4-7-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 5-(methylamino)octanoic acid?
5-(methylamino)octanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)octanoic acid is sourced from PubChem (CID 116953071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).