2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid

C15H22N2O3 — CID 170880007

IUPAC2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
SMILESCOc1cc(N2CCCCC2)ccc1CC(N)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-20-14-10-12(17-7-3-2-4-8-17)6-5-11(14)9-13(16)15(18)19/h5-6,10,13H,2-4,7-9,16H2,1H3,(H,18,19)
InChIKeyIRDQZXDUIUNHER-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.64
Rot. Bonds5

About 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid

2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid (PubChem CID 170880007) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
PubChem CID170880007
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
SMILESCOc1cc(N2CCCCC2)ccc1CC(N)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-20-14-10-12(17-7-3-2-4-8-17)6-5-11(14)9-13(16)15(18)19/h5-6,10,13H,2-4,7-9,16H2,1H3,(H,18,19)
InChIKeyIRDQZXDUIUNHER-UHFFFAOYSA-N
XLogP1.64
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoate
CID 170884232
methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884554
2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid
CID 170880036
3-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881208
(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
CID 96802774
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methoxy-4-pyrrolidin-1-ylphenyl)propanoic acid
CID 170882731
ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate
CID 170885740
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid
CID 117376272
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid
CID 170880009
2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
CID 117454603
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
CID 82626061

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid (CID 170880007) is 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid is COc1cc(N2CCCCC2)ccc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid?
The InChIKey is IRDQZXDUIUNHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-14-10-12(17-7-3-2-4-8-17)6-5-11(14)9-13(16)15(18)19/h5-6,10,13H,2-4,7-9,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid?
2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid is sourced from PubChem (CID 170880007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).