(3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid

C11H14N2O4 — CID 59947502

IUPAC(3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid
SMILESCN[C@@H](CC(=O)O)C(=O)COc1ccncc1
InChIInChI=1S/C11H14N2O4/c1-12-9(6-11(15)16)10(14)7-17-8-2-4-13-5-3-8/h2-5,9,12H,6-7H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyQWEGVMJKTMFRTL-VIFPVBQESA-N
MW238.24 g/mol
LogP0.09
Rot. Bonds7

About (3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid

(3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid (PubChem CID 59947502) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid.

Molecular Properties

Compound Name(3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid
PubChem CID59947502
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid
SMILESCN[C@@H](CC(=O)O)C(=O)COc1ccncc1
InChIInChI=1S/C11H14N2O4/c1-12-9(6-11(15)16)10(14)7-17-8-2-4-13-5-3-8/h2-5,9,12H,6-7H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyQWEGVMJKTMFRTL-VIFPVBQESA-N
XLogP0.09
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-pyridin-4-yloxyacetate
CID 90026078
(3S)-3-(methylamino)-4-oxo-5-(6-oxopyrimidin-1-yl)pentanoic acid
CID 59947733
4-(4-methoxyphenyl)-3-(methylamino)-4-oxobutanoic acid
CID 82322522
3-(methylamino)-4-oxo-4-phenylbutanoic acid
CID 82322276
2-(4-ethoxyphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 18160473
(3S)-3-[(5-methyl-3-phenyl-2H-1,2-oxazole-5-carbonyl)amino]-4-oxo-5-phenoxypentanoic acid
CID 90742848
3-(dimethylamino)-3-pyridin-4-ylpropanoic acid
CID 82125760
3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
(3S)-3-(pyridin-4-ylamino)butanoic acid;dihydrochloride
CID 71432875
2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 28721742
2-[[2-(4-cyanophenoxy)acetyl]amino]butanedioic acid
CID 78910236

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid?
The IUPAC name of (3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid (CID 59947502) is (3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid.
What is the SMILES notation for (3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid?
The canonical SMILES for (3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid is CN[C@@H](CC(=O)O)C(=O)COc1ccncc1.
What is the InChIKey of (3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid?
The InChIKey is QWEGVMJKTMFRTL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O4/c1-12-9(6-11(15)16)10(14)7-17-8-2-4-13-5-3-8/h2-5,9,12H,6-7H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid?
(3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)-4-oxo-5-pyridin-4-yloxypentanoic acid is sourced from PubChem (CID 59947502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).