4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid

C13H19NO2 — CID 57275186

IUPAC4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid
SMILESCC(CN)c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-10(9-14)12-7-5-11(6-8-12)3-2-4-13(15)16/h5-8,10H,2-4,9,14H2,1H3,(H,15,16)
InChIKeyQFEAWUBCFJSFBC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.16
Rot. Bonds6

About 4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid

4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid (PubChem CID 57275186) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid
PubChem CID57275186
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid
SMILESCC(CN)c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-10(9-14)12-7-5-11(6-8-12)3-2-4-13(15)16/h5-8,10H,2-4,9,14H2,1H3,(H,15,16)
InChIKeyQFEAWUBCFJSFBC-UHFFFAOYSA-N
XLogP2.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1-aminopropan-2-yl)phenyl]propyl nitrate
CID 166810790
4-[4-(4-phenylpentanoylamino)phenyl]butanoic acid
CID 23404985
4-[2-(4-butan-2-ylphenyl)ethylamino]butanoic acid
CID 115218703
(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid
CID 28931398
2-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
CID 171318112
4-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]butanoic acid
CID 171862895
4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-(4-iodophenyl)butanoic acid
CID 4645427
4-[4-[(dimethylamino)methyl]phenyl]butanoic acid
CID 117316229
[4-(3-carboxypropyl)phenyl]-methylazanide
CID 58832285

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid (CID 57275186) is 4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid is CC(CN)c1ccc(CCCC(=O)O)cc1.
What is the InChIKey of 4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid?
The InChIKey is QFEAWUBCFJSFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(9-14)12-7-5-11(6-8-12)3-2-4-13(15)16/h5-8,10H,2-4,9,14H2,1H3,(H,15,16).
What are the key properties of 4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid?
4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid is sourced from PubChem (CID 57275186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).