2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid

C13H19NO3 — CID 143046160

IUPAC2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid
SMILESCc1ccccc1CCCC(N)(CO)C(=O)O
InChIInChI=1S/C13H19NO3/c1-10-5-2-3-6-11(10)7-4-8-13(14,9-15)12(16)17/h2-3,5-6,15H,4,7-9,14H2,1H3,(H,16,17)
InChIKeyVUUXTIGTFWCDHD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.09
Rot. Bonds6

About 2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid

2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid (PubChem CID 143046160) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid
PubChem CID143046160
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid
SMILESCc1ccccc1CCCC(N)(CO)C(=O)O
InChIInChI=1S/C13H19NO3/c1-10-5-2-3-6-11(10)7-4-8-13(14,9-15)12(16)17/h2-3,5-6,15H,4,7-9,14H2,1H3,(H,16,17)
InChIKeyVUUXTIGTFWCDHD-UHFFFAOYSA-N
XLogP1.09
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid?
The IUPAC name of 2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid (CID 143046160) is 2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid?
The canonical SMILES for 2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid is Cc1ccccc1CCCC(N)(CO)C(=O)O.
What is the InChIKey of 2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid?
The InChIKey is VUUXTIGTFWCDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-5-2-3-6-11(10)7-4-8-13(14,9-15)12(16)17/h2-3,5-6,15H,4,7-9,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid?
2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid is sourced from PubChem (CID 143046160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).