4-[butyl(ethyl)amino]butanoic acid

C10H21NO2 — CID 20991778

IUPAC4-[butyl(ethyl)amino]butanoic acid
SMILESCCCCN(CC)CCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-3-5-8-11(4-2)9-6-7-10(12)13/h3-9H2,1-2H3,(H,12,13)
InChIKeyHIXGOIWOPHLDTM-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.97
Rot. Bonds8

About 4-[butyl(ethyl)amino]butanoic acid

4-[butyl(ethyl)amino]butanoic acid (PubChem CID 20991778) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]butanoic acid
PubChem CID20991778
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-[butyl(ethyl)amino]butanoic acid
SMILESCCCCN(CC)CCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-3-5-8-11(4-2)9-6-7-10(12)13/h3-9H2,1-2H3,(H,12,13)
InChIKeyHIXGOIWOPHLDTM-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
4-(didodecylamino)butanoic acid
CID 101313875
4-[2-[3-carboxypropyl(dodecyl)amino]ethyl-dodecylamino]butanoic acid
CID 156699856
N,N-diethylethanamine;docosanoic acid
CID 53470672
N,N-diethylethanamine;octanoic acid;hydrofluoride
CID 174857533
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
ethane;pentanoic acid
CID 142198531
4-[ethyl(pentyl)amino]butanamide
CID 57048694
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)amino]butanoic acid?
The IUPAC name of 4-[butyl(ethyl)amino]butanoic acid (CID 20991778) is 4-[butyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 4-[butyl(ethyl)amino]butanoic acid?
The canonical SMILES for 4-[butyl(ethyl)amino]butanoic acid is CCCCN(CC)CCCC(=O)O.
What is the InChIKey of 4-[butyl(ethyl)amino]butanoic acid?
The InChIKey is HIXGOIWOPHLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-8-11(4-2)9-6-7-10(12)13/h3-9H2,1-2H3,(H,12,13).
What are the key properties of 4-[butyl(ethyl)amino]butanoic acid?
4-[butyl(ethyl)amino]butanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 20991778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).