(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid

C12H16N2O3 — CID 946111

IUPAC(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid
SMILESCC[C@H](CCC(=O)Nc1ccccn1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-2-9(12(16)17)6-7-11(15)14-10-5-3-4-8-13-10/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)(H,13,14,15)/t9-/m1/s1
InChIKeyIOIHMHCYOZXIJT-SECBINFHSA-N
MW236.27 g/mol
LogP1.91
Rot. Bonds6

About (2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid

(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid (PubChem CID 946111) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid
PubChem CID946111
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid
SMILESCC[C@H](CCC(=O)Nc1ccccn1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-2-9(12(16)17)6-7-11(15)14-10-5-3-4-8-13-10/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)(H,13,14,15)/t9-/m1/s1
InChIKeyIOIHMHCYOZXIJT-SECBINFHSA-N
XLogP1.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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molecular hydrogen;N-pyridin-2-ylbutanamide
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2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
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5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide
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5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
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CID 110491750
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid?
The IUPAC name of (2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid (CID 946111) is (2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid?
The canonical SMILES for (2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid is CC[C@H](CCC(=O)Nc1ccccn1)C(=O)O.
What is the InChIKey of (2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid?
The InChIKey is IOIHMHCYOZXIJT-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-9(12(16)17)6-7-11(15)14-10-5-3-4-8-13-10/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)(H,13,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid?
(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid is sourced from PubChem (CID 946111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).