3-[ethyl(1-phenylbutyl)amino]butanoic acid

C16H25NO2 — CID 65061148

IUPAC3-[ethyl(1-phenylbutyl)amino]butanoic acid
SMILESCCCC(c1ccccc1)N(CC)C(C)CC(=O)O
InChIInChI=1S/C16H25NO2/c1-4-9-15(14-10-7-6-8-11-14)17(5-2)13(3)12-16(18)19/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3,(H,18,19)
InChIKeyDHEVYPGEBRUAPH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.71
Rot. Bonds8

About 3-[ethyl(1-phenylbutyl)amino]butanoic acid

3-[ethyl(1-phenylbutyl)amino]butanoic acid (PubChem CID 65061148) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[ethyl(1-phenylbutyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(1-phenylbutyl)amino]butanoic acid
PubChem CID65061148
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[ethyl(1-phenylbutyl)amino]butanoic acid
SMILESCCCC(c1ccccc1)N(CC)C(C)CC(=O)O
InChIInChI=1S/C16H25NO2/c1-4-9-15(14-10-7-6-8-11-14)17(5-2)13(3)12-16(18)19/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3,(H,18,19)
InChIKeyDHEVYPGEBRUAPH-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid
CID 65060993
4-[1-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058820
3-[benzyl(1-phenylethyl)amino]butanoic acid
CID 19790414
3-[1-(3-bromophenyl)propyl-ethylamino]butanoic acid
CID 114079264
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218
3-[methyl(propan-2-yl)amino]-3-phenylpropanoic acid
CID 63068759
3-[1-[3-(difluoromethoxy)phenyl]ethyl-ethylamino]butanoic acid
CID 65060709
3-[ethyl(propan-2-yl)amino]butanoic acid
CID 43537443
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
3-[ethyl(2-ethylbutyl)amino]-3-phenylpropanoic acid
CID 63074344
(3S,5R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-methyloctanoic acid
CID 68953635
3-[(4-amino-4-phenylbutanoyl)-ethylamino]butanoic acid
CID 63323741

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-phenylbutyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(1-phenylbutyl)amino]butanoic acid (CID 65061148) is 3-[ethyl(1-phenylbutyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(1-phenylbutyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(1-phenylbutyl)amino]butanoic acid is CCCC(c1ccccc1)N(CC)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(1-phenylbutyl)amino]butanoic acid?
The InChIKey is DHEVYPGEBRUAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-9-15(14-10-7-6-8-11-14)17(5-2)13(3)12-16(18)19/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3,(H,18,19).
What are the key properties of 3-[ethyl(1-phenylbutyl)amino]butanoic acid?
3-[ethyl(1-phenylbutyl)amino]butanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-phenylbutyl)amino]butanoic acid is sourced from PubChem (CID 65061148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).