3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid

C14H19N3O5 — CID 119362434

IUPAC3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)COCC(=O)NCc1cccnc1
InChIInChI=1S/C14H19N3O5/c1-17(6-4-14(20)21)13(19)10-22-9-12(18)16-8-11-3-2-5-15-7-11/h2-3,5,7H,4,6,8-10H2,1H3,(H,16,18)(H,20,21)
InChIKeyUIKRAZHACIOUBB-UHFFFAOYSA-N
MW309.32 g/mol
LogP-0.35
Rot. Bonds9

About 3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid

3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid (PubChem CID 119362434) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid
PubChem CID119362434
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)COCC(=O)NCc1cccnc1
InChIInChI=1S/C14H19N3O5/c1-17(6-4-14(20)21)13(19)10-22-9-12(18)16-8-11-3-2-5-15-7-11/h2-3,5,7H,4,6,8-10H2,1H3,(H,16,18)(H,20,21)
InChIKeyUIKRAZHACIOUBB-UHFFFAOYSA-N
XLogP-0.35
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
CID 110837113
4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 62691218
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid (CID 119362434) is 3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)COCC(=O)NCc1cccnc1.
What is the InChIKey of 3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid?
The InChIKey is UIKRAZHACIOUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-17(6-4-14(20)21)13(19)10-22-9-12(18)16-8-11-3-2-5-15-7-11/h2-3,5,7H,4,6,8-10H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid?
3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid has a molecular weight of 309.32 g/mol, XLogP of -0.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid is sourced from PubChem (CID 119362434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).