3-amino-3-(4-methoxyphenyl)propanoic acid

C10H13NO3 — CID 585889

IUPAC3-amino-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(N)CC(=O)O)cc1
InChIInChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
InChIKeyNYTANCDDCQVQHG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.17
Rot. Bonds4

About 3-amino-3-(4-methoxyphenyl)propanoic acid

3-amino-3-(4-methoxyphenyl)propanoic acid (PubChem CID 585889) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-amino-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-methoxyphenyl)propanoic acid
PubChem CID585889
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-amino-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(N)CC(=O)O)cc1
InChIInChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
InChIKeyNYTANCDDCQVQHG-UHFFFAOYSA-N
XLogP1.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(4-methoxyphenyl)propanoic acid (CID 585889) is 3-amino-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-methoxyphenyl)propanoic acid is COc1ccc(C(N)CC(=O)O)cc1.
What is the InChIKey of 3-amino-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is NYTANCDDCQVQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-3-(4-methoxyphenyl)propanoic acid?
3-amino-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 585889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).