2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid

C19H24N2O3 — CID 142964377

IUPAC2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid
SMILESCCc1ccc(CCCOc2ccc(CC(N)C(=O)O)cc2)nc1
InChIInChI=1S/C19H24N2O3/c1-2-14-5-8-16(21-13-14)4-3-11-24-17-9-6-15(7-10-17)12-18(20)19(22)23/h5-10,13,18H,2-4,11-12,20H2,1H3,(H,22,23)
InChIKeyHZPYBQWSSKRPKD-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.61
Rot. Bonds9

About 2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid

2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid (PubChem CID 142964377) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid
PubChem CID142964377
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid
SMILESCCc1ccc(CCCOc2ccc(CC(N)C(=O)O)cc2)nc1
InChIInChI=1S/C19H24N2O3/c1-2-14-5-8-16(21-13-14)4-3-11-24-17-9-6-15(7-10-17)12-18(20)19(22)23/h5-10,13,18H,2-4,11-12,20H2,1H3,(H,22,23)
InChIKeyHZPYBQWSSKRPKD-UHFFFAOYSA-N
XLogP2.61
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 67367096
2-carbamoylsulfanyl-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 58629732
(2S)-2-amino-3-(4-undecoxyphenyl)propanoic acid
CID 102330984
CID 88967264
CID 88967264
(2S)-2-amino-3-[4-(4-aminobutoxy)phenyl]propanoic acid
CID 142948465
CID 89318794
CID 89318794
(2S)-2-amino-3-[4-(3-fluoropropoxy)phenyl]propanoic acid;hydrochloride
CID 118157791
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
CID 11499578
butyl 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]-2-methylsulfonyloxypropanoate
CID 87611190
2-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid;hydrochloride
CID 118157824
ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate
CID 53249782

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid (CID 142964377) is 2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid is CCc1ccc(CCCOc2ccc(CC(N)C(=O)O)cc2)nc1.
What is the InChIKey of 2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid?
The InChIKey is HZPYBQWSSKRPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-14-5-8-16(21-13-14)4-3-11-24-17-9-6-15(7-10-17)12-18(20)19(22)23/h5-10,13,18H,2-4,11-12,20H2,1H3,(H,22,23).
What are the key properties of 2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid?
2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid is sourced from PubChem (CID 142964377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).