2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine

C12H19NO3 — CID 173162117

IUPAC2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(C)(C)N.O=C(O)CO
InChIInChI=1S/C10H15N.C2H4O3/c1-8-6-4-5-7-9(8)10(2,3)11;3-1-2(4)5/h4-7H,11H2,1-3H3;3H,1H2,(H,4,5)
InChIKeyYZBOVBOWEBHBNE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.25
Rot. Bonds2

About 2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine

2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine (PubChem CID 173162117) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine
PubChem CID173162117
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(C)(C)N.O=C(O)CO
InChIInChI=1S/C10H15N.C2H4O3/c1-8-6-4-5-7-9(8)10(2,3)11;3-1-2(4)5/h4-7H,11H2,1-3H3;3H,1H2,(H,4,5)
InChIKeyYZBOVBOWEBHBNE-UHFFFAOYSA-N
XLogP1.25
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine?
The IUPAC name of 2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine (CID 173162117) is 2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine is Cc1ccccc1C(C)(C)N.O=C(O)CO.
What is the InChIKey of 2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine?
The InChIKey is YZBOVBOWEBHBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H4O3/c1-8-6-4-5-7-9(8)10(2,3)11;3-1-2(4)5/h4-7H,11H2,1-3H3;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine?
2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 173162117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).