3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid

C15H23NO3 — CID 82350646

IUPAC3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid
SMILESCCC(C)NC(CC(=O)O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-11(2)16-13(10-15(17)18)9-12-5-7-14(19-3)8-6-12/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyRTFLSSBGQWQXDB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.47
Rot. Bonds8

About 3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid

3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid (PubChem CID 82350646) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid
PubChem CID82350646
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid
SMILESCCC(C)NC(CC(=O)O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-11(2)16-13(10-15(17)18)9-12-5-7-14(19-3)8-6-12/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyRTFLSSBGQWQXDB-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butan-2-ylamino)-4-(4-methoxy-2,6-dimethylphenyl)butanoic acid
CID 82350952
3-(2-hydroxyethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350647
4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoic acid
CID 82350676
methyl 3-(butan-2-ylamino)-4-(4-chlorophenyl)butanoate
CID 82351285
(3S)-4-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 14410547
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide
CID 15034414
3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 82351123
3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82352334
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
methyl 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoate
CID 82351403
N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 71195446

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid?
The IUPAC name of 3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid (CID 82350646) is 3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid.
What is the SMILES notation for 3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid?
The canonical SMILES for 3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid is CCC(C)NC(CC(=O)O)Cc1ccc(OC)cc1.
What is the InChIKey of 3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid?
The InChIKey is RTFLSSBGQWQXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-11(2)16-13(10-15(17)18)9-12-5-7-14(19-3)8-6-12/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid?
3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 82350646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).