5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid

C12H17NO3 — CID 104681339

IUPAC5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid
SMILESNCCCC(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C12H17NO3/c13-6-2-4-10(12(15)16)7-9-3-1-5-11(14)8-9/h1,3,5,8,10,14H,2,4,6-7,13H2,(H,15,16)
InChIKeyBRFVRWJLLIULKS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.37
Rot. Bonds6

About 5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid

5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid (PubChem CID 104681339) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid
PubChem CID104681339
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid
SMILESNCCCC(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C12H17NO3/c13-6-2-4-10(12(15)16)7-9-3-1-5-11(14)8-9/h1,3,5,8,10,14H,2,4,6-7,13H2,(H,15,16)
InChIKeyBRFVRWJLLIULKS-UHFFFAOYSA-N
XLogP1.37
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-[(3-bromophenyl)methyl]hexanoic acid
CID 104681509
6-amino-2-[[3-(trifluoromethyl)phenyl]methyl]hexanoic acid
CID 104681546
2-[(3-hydroxyphenyl)methyl]-3-phosphonopropanoic acid
CID 11065160
4-amino-2-benzylbutanoic acid
CID 16679765
5-amino-2-[(3,5-dimethylphenyl)methyl]pentanoic acid
CID 104681094
6-amino-2-[(3,4-dimethylphenyl)methyl]hexanoic acid
CID 104681350
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
6-amino-2-[(4-chlorophenyl)methyl]hexanoic acid
CID 104681512
2-(aminomethyl)-4-ethyl-7-(3-hydroxyphenyl)heptanoic acid
CID 69269231
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 90059046

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid?
The IUPAC name of 5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid (CID 104681339) is 5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid.
What is the SMILES notation for 5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid?
The canonical SMILES for 5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid is NCCCC(Cc1cccc(O)c1)C(=O)O.
What is the InChIKey of 5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid?
The InChIKey is BRFVRWJLLIULKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c13-6-2-4-10(12(15)16)7-9-3-1-5-11(14)8-9/h1,3,5,8,10,14H,2,4,6-7,13H2,(H,15,16).
What are the key properties of 5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid?
5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid is sourced from PubChem (CID 104681339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).