2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid

C15H17NO4 — CID 102437815

IUPAC2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid
SMILESCOC(=O)N1C=CCCC1c1ccccc1CC(=O)O
InChIInChI=1S/C15H17NO4/c1-20-15(19)16-9-5-4-8-13(16)12-7-3-2-6-11(12)10-14(17)18/h2-3,5-7,9,13H,4,8,10H2,1H3,(H,17,18)
InChIKeyPPTJMXPBZXWXMQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.73
Rot. Bonds3

About 2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid

2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid (PubChem CID 102437815) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid
PubChem CID102437815
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid
SMILESCOC(=O)N1C=CCCC1c1ccccc1CC(=O)O
InChIInChI=1S/C15H17NO4/c1-20-15(19)16-9-5-4-8-13(16)12-7-3-2-6-11(12)10-14(17)18/h2-3,5-7,9,13H,4,8,10H2,1H3,(H,17,18)
InChIKeyPPTJMXPBZXWXMQ-UHFFFAOYSA-N
XLogP2.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19382635
2-[2-[[Butoxycarbonyl(methyl)amino]methyl]phenyl]acetic acid
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o-(N-t-butoxycarbonyl-N-methylaminomethyl)phenylacetic acid
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2-[2-[(Butoxycarbonylamino)methyl]phenyl]acetic acid
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2-[2-[2-Methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid (CID 102437815) is 2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid is COC(=O)N1C=CCCC1c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid?
The InChIKey is PPTJMXPBZXWXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-20-15(19)16-9-5-4-8-13(16)12-7-3-2-6-11(12)10-14(17)18/h2-3,5-7,9,13H,4,8,10H2,1H3,(H,17,18).
What are the key properties of 2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid?
2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid has a molecular weight of 275.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxycarbonyl-3,4-dihydro-2H-pyridin-2-yl)phenyl]acetic acid is sourced from PubChem (CID 102437815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).