2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine

C13H19NO3 — CID 70632624

IUPAC2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine
SMILESCC(N)=Cc1ccc(C)cc1.CC(O)C(=O)O
InChIInChI=1S/C10H13N.C3H6O3/c1-8-3-5-10(6-4-8)7-9(2)11;1-2(4)3(5)6/h3-7H,11H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyAABVOBFPMKTTEZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds2

About 2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine

2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine (PubChem CID 70632624) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine.

Molecular Properties

Compound Name2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine
PubChem CID70632624
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine
SMILESCC(N)=Cc1ccc(C)cc1.CC(O)C(=O)O
InChIInChI=1S/C10H13N.C3H6O3/c1-8-3-5-10(6-4-8)7-9(2)11;1-2(4)3(5)6/h3-7H,11H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyAABVOBFPMKTTEZ-UHFFFAOYSA-N
XLogP1.77
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine?
The IUPAC name of 2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine (CID 70632624) is 2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine.
What is the SMILES notation for 2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine?
The canonical SMILES for 2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine is CC(N)=Cc1ccc(C)cc1.CC(O)C(=O)O.
What is the InChIKey of 2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine?
The InChIKey is AABVOBFPMKTTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C3H6O3/c1-8-3-5-10(6-4-8)7-9(2)11;1-2(4)3(5)6/h3-7H,11H2,1-2H3;2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine?
2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine has a molecular weight of 237.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine is sourced from PubChem (CID 70632624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).