4-[3-carboxypropyl(ethyl)amino]butanoic acid

C10H19NO4 — CID 154143121

IUPAC4-[3-carboxypropyl(ethyl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-2-11(7-3-5-9(12)13)8-4-6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyYNOVYLMCFXZAKK-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.04
Rot. Bonds9

About 4-[3-carboxypropyl(ethyl)amino]butanoic acid

4-[3-carboxypropyl(ethyl)amino]butanoic acid (PubChem CID 154143121) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[3-carboxypropyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-carboxypropyl(ethyl)amino]butanoic acid
PubChem CID154143121
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[3-carboxypropyl(ethyl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-2-11(7-3-5-9(12)13)8-4-6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyYNOVYLMCFXZAKK-UHFFFAOYSA-N
XLogP1.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Carboxypropyl)trimethylammonium chloride
CID 22620
4-Trimethylammoniobutanoate
CID 134
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-(Pyrrolidin-1-yl)butanoic acid hydrochloride
CID 14855682
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-carboxypropyl(ethyl)amino]butanoic acid?
The IUPAC name of 4-[3-carboxypropyl(ethyl)amino]butanoic acid (CID 154143121) is 4-[3-carboxypropyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 4-[3-carboxypropyl(ethyl)amino]butanoic acid?
The canonical SMILES for 4-[3-carboxypropyl(ethyl)amino]butanoic acid is CCN(CCCC(=O)O)CCCC(=O)O.
What is the InChIKey of 4-[3-carboxypropyl(ethyl)amino]butanoic acid?
The InChIKey is YNOVYLMCFXZAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-11(7-3-5-9(12)13)8-4-6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[3-carboxypropyl(ethyl)amino]butanoic acid?
4-[3-carboxypropyl(ethyl)amino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-carboxypropyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 154143121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).