3-(diethylaminomethyl)pentanoic acid

C10H21NO2 — CID 81071811

IUPAC3-(diethylaminomethyl)pentanoic acid
SMILESCCC(CC(=O)O)CN(CC)CC
InChIInChI=1S/C10H21NO2/c1-4-9(7-10(12)13)8-11(5-2)6-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyWUNZLDAGRFJJPJ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds7

About 3-(diethylaminomethyl)pentanoic acid

3-(diethylaminomethyl)pentanoic acid (PubChem CID 81071811) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(diethylaminomethyl)pentanoic acid.

Molecular Properties

Compound Name3-(diethylaminomethyl)pentanoic acid
PubChem CID81071811
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(diethylaminomethyl)pentanoic acid
SMILESCCC(CC(=O)O)CN(CC)CC
InChIInChI=1S/C10H21NO2/c1-4-9(7-10(12)13)8-11(5-2)6-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyWUNZLDAGRFJJPJ-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trimethylammonio)pentanoic Acid
CID 73167559
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
4-Carboxy-1,1-Dimethylpiperidin-1-Ium
CID 71385008
1-Ethylpiperidine-4-carboxylic acid
CID 18783773
1-Propylpiperidine-4-carboxylic acid
CID 16228244
4-(Dimethylamino)-3-methylbutanoic acid hydrochloride
CID 137838643
Tetra-n-butylammonium-3-methylpentanoate
CID 146468899
Acetic acid, 1-butyl-3-piperidyl ester
CID 144400
N-methyl-N-(beta-carboxyethyl)-gamma-amino-alpha-methylbutyric acid
CID 129881704
3-[(Dimethylamino)methyl]-5,5,5-trifluoropentanoic acid
CID 82534440
4-(Diethylamino)-3-fluoro-3-methylbutanoic acid
CID 105445117

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)pentanoic acid?
The IUPAC name of 3-(diethylaminomethyl)pentanoic acid (CID 81071811) is 3-(diethylaminomethyl)pentanoic acid.
What is the SMILES notation for 3-(diethylaminomethyl)pentanoic acid?
The canonical SMILES for 3-(diethylaminomethyl)pentanoic acid is CCC(CC(=O)O)CN(CC)CC.
What is the InChIKey of 3-(diethylaminomethyl)pentanoic acid?
The InChIKey is WUNZLDAGRFJJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-9(7-10(12)13)8-11(5-2)6-3/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3-(diethylaminomethyl)pentanoic acid?
3-(diethylaminomethyl)pentanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)pentanoic acid is sourced from PubChem (CID 81071811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).