2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid

C16H16N2O5 — CID 66854688

IUPAC2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1cccc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C16H16N2O5/c1-11(15(20)21)18-9-5-8-13(14(18)19)17-16(22)23-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,22)(H,20,21)
InChIKeyMCGQKPRIVYKDJS-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.24
Rot. Bonds5

About 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid

2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid (PubChem CID 66854688) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
PubChem CID66854688
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1cccc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C16H16N2O5/c1-11(15(20)21)18-9-5-8-13(14(18)19)17-16(22)23-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,22)(H,20,21)
InChIKeyMCGQKPRIVYKDJS-UHFFFAOYSA-N
XLogP2.24
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66853303
2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66853852
2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 139948436
benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate
CID 159674072
benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
CID 118155175
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate
CID 140747518
ethyl (E,4S)-7-amino-7-oxo-4-[[(2R)-2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]-3-phenylpropanoyl]amino]hept-2-enoate;ethyl (E,4S)-7-amino-7-oxo-4-[[(2S)-2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]-3-phenylpropanoyl]amino]hept-2-enoate
CID 15954621
2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 18172501
benzyl N-[2-oxo-1-[(2S)-1-oxo-1-[[(E,2S)-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl]amino]-3-phenylpropan-2-yl]-3-pyridinyl]carbamate
CID 59038135

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid (CID 66854688) is 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid is CC(C(=O)O)n1cccc(NC(=O)OCc2ccccc2)c1=O.
What is the InChIKey of 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid?
The InChIKey is MCGQKPRIVYKDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-11(15(20)21)18-9-5-8-13(14(18)19)17-16(22)23-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid?
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid has a molecular weight of 316.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 66854688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).