2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid

C12H17NO3 — CID 69269941

IUPAC2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid
SMILESCC(CC(CN)C(=O)O)c1ccccc1O
InChIInChI=1S/C12H17NO3/c1-8(6-9(7-13)12(15)16)10-4-2-3-5-11(10)14/h2-5,8-9,14H,6-7,13H2,1H3,(H,15,16)
InChIKeyQTSKJBAQRPYZSH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.55
Rot. Bonds5

About 2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid

2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid (PubChem CID 69269941) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid
PubChem CID69269941
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid
SMILESCC(CC(CN)C(=O)O)c1ccccc1O
InChIInChI=1S/C12H17NO3/c1-8(6-9(7-13)12(15)16)10-4-2-3-5-11(10)14/h2-5,8-9,14H,6-7,13H2,1H3,(H,15,16)
InChIKeyQTSKJBAQRPYZSH-UHFFFAOYSA-N
XLogP1.55
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-(2-hydroxyphenyl)-4-methylhexanoic acid
CID 69268100
2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 69266892
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentanoic acid
CID 69269444
2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol
CID 83930477
2-(1-aminopropan-2-yl)phenol
CID 3028046
2-(aminomethyl)-4-(2,5-dichlorophenyl)pentanoic acid
CID 69267638
2-(aminomethyl)-4-methyl-5-(2,3,4-trihydroxyphenyl)pentanoic acid
CID 87760629
2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid
CID 69268125
2-(aminomethyl)-5-phenylhexanoic acid
CID 69269519
2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid
CID 69271867
2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 11738208
2-(aminomethyl)-4-(2-fluorophenyl)hexanoic acid
CID 69267183

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid (CID 69269941) is 2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid is CC(CC(CN)C(=O)O)c1ccccc1O.
What is the InChIKey of 2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid?
The InChIKey is QTSKJBAQRPYZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(6-9(7-13)12(15)16)10-4-2-3-5-11(10)14/h2-5,8-9,14H,6-7,13H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid?
2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid is sourced from PubChem (CID 69269941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).