4-[ethyl(propyl)amino]-2-fluorobutanoic acid

C9H18FNO2 — CID 145260101

IUPAC4-[ethyl(propyl)amino]-2-fluorobutanoic acid
SMILESCCCN(CC)CCC(F)C(=O)O
InChIInChI=1S/C9H18FNO2/c1-3-6-11(4-2)7-5-8(10)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyQPKKGVVOHMZVJX-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.53
Rot. Bonds7

About 4-[ethyl(propyl)amino]-2-fluorobutanoic acid

4-[ethyl(propyl)amino]-2-fluorobutanoic acid (PubChem CID 145260101) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-2-fluorobutanoic acid.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-2-fluorobutanoic acid
PubChem CID145260101
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name4-[ethyl(propyl)amino]-2-fluorobutanoic acid
SMILESCCCN(CC)CCC(F)C(=O)O
InChIInChI=1S/C9H18FNO2/c1-3-6-11(4-2)7-5-8(10)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyQPKKGVVOHMZVJX-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Trimethylammoniobutanoate
CID 134
(3-Carboxypropyl)trimethylammonium chloride
CID 22620
3-Carboxy-N-(2-Fluoroethyl)-N,N-Dimethylpropan-1-Aminium
CID 70673858
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
1-(3-Carboxypropyl)-1-Methylpyrrolidin-1-Ium
CID 21578870
3-carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium chloride
CID 70673857
Butyric acid, 4-(diethylamino)-
CID 44844
4-(Dimethylamino)butyric acid
CID 239820
4-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539
4-(1-Methylpyrrolidin-1-ium-1-yl)butanoic acid chloride
CID 90655224
4-[Ethyl(dimethyl)ammonio]butanoate
CID 51347808

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-2-fluorobutanoic acid?
The IUPAC name of 4-[ethyl(propyl)amino]-2-fluorobutanoic acid (CID 145260101) is 4-[ethyl(propyl)amino]-2-fluorobutanoic acid.
What is the SMILES notation for 4-[ethyl(propyl)amino]-2-fluorobutanoic acid?
The canonical SMILES for 4-[ethyl(propyl)amino]-2-fluorobutanoic acid is CCCN(CC)CCC(F)C(=O)O.
What is the InChIKey of 4-[ethyl(propyl)amino]-2-fluorobutanoic acid?
The InChIKey is QPKKGVVOHMZVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-3-6-11(4-2)7-5-8(10)9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[ethyl(propyl)amino]-2-fluorobutanoic acid?
4-[ethyl(propyl)amino]-2-fluorobutanoic acid has a molecular weight of 191.25 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-2-fluorobutanoic acid is sourced from PubChem (CID 145260101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).