3-amino-3-(3-cyclobutylphenyl)propanoic acid

C13H17NO2 — CID 83837155

IUPAC3-amino-3-(3-cyclobutylphenyl)propanoic acid
SMILESNC(CC(=O)O)c1cccc(C2CCC2)c1
InChIInChI=1S/C13H17NO2/c14-12(8-13(15)16)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-7,9,12H,1,3-4,8,14H2,(H,15,16)
InChIKeyUKNRLRWVTLNVCY-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.43
Rot. Bonds4

About 3-amino-3-(3-cyclobutylphenyl)propanoic acid

3-amino-3-(3-cyclobutylphenyl)propanoic acid (PubChem CID 83837155) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-3-(3-cyclobutylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-cyclobutylphenyl)propanoic acid
PubChem CID83837155
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-amino-3-(3-cyclobutylphenyl)propanoic acid
SMILESNC(CC(=O)O)c1cccc(C2CCC2)c1
InChIInChI=1S/C13H17NO2/c14-12(8-13(15)16)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-7,9,12H,1,3-4,8,14H2,(H,15,16)
InChIKeyUKNRLRWVTLNVCY-UHFFFAOYSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117417985
4-amino-4-(3-cyclopentylphenyl)butanoic acid
CID 117371345
4-amino-3-(3-cyclopropylphenyl)butanoic acid
CID 79978164
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
CID 114603248
1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine
CID 114603312
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79984518
2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine
CID 114602829
3-amino-3-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 117417180
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
3-cyclopropyl-3-[3-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117485723

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-cyclobutylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(3-cyclobutylphenyl)propanoic acid (CID 83837155) is 3-amino-3-(3-cyclobutylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-cyclobutylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-cyclobutylphenyl)propanoic acid is NC(CC(=O)O)c1cccc(C2CCC2)c1.
What is the InChIKey of 3-amino-3-(3-cyclobutylphenyl)propanoic acid?
The InChIKey is UKNRLRWVTLNVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-12(8-13(15)16)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-7,9,12H,1,3-4,8,14H2,(H,15,16).
What are the key properties of 3-amino-3-(3-cyclobutylphenyl)propanoic acid?
3-amino-3-(3-cyclobutylphenyl)propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-cyclobutylphenyl)propanoic acid is sourced from PubChem (CID 83837155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).