3-(3-pyridin-3-yloxypropanoylamino)propanoic acid

C11H14N2O4 — CID 110837112

IUPAC3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)CCOc1cccnc1
InChIInChI=1S/C11H14N2O4/c14-10(13-6-3-11(15)16)4-7-17-9-2-1-5-12-8-9/h1-2,5,8H,3-4,6-7H2,(H,13,14)(H,15,16)
InChIKeyUMMVWXXNWKVONH-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.44
Rot. Bonds7

About 3-(3-pyridin-3-yloxypropanoylamino)propanoic acid

3-(3-pyridin-3-yloxypropanoylamino)propanoic acid (PubChem CID 110837112) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(3-pyridin-3-yloxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
PubChem CID110837112
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)CCOc1cccnc1
InChIInChI=1S/C11H14N2O4/c14-10(13-6-3-11(15)16)4-7-17-9-2-1-5-12-8-9/h1-2,5,8H,3-4,6-7H2,(H,13,14)(H,15,16)
InChIKeyUMMVWXXNWKVONH-UHFFFAOYSA-N
XLogP0.44
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
CID 110837113
(2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837106
N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
CID 110834154
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 119060315
2-(1-hydroxycyclopentyl)-N-(2-pyridin-3-yloxyethyl)acetamide
CID 111538743
N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide
CID 111538742
3-(oxazinan-2-yl)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 46984120

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-yloxypropanoylamino)propanoic acid?
The IUPAC name of 3-(3-pyridin-3-yloxypropanoylamino)propanoic acid (CID 110837112) is 3-(3-pyridin-3-yloxypropanoylamino)propanoic acid.
What is the SMILES notation for 3-(3-pyridin-3-yloxypropanoylamino)propanoic acid?
The canonical SMILES for 3-(3-pyridin-3-yloxypropanoylamino)propanoic acid is O=C(O)CCNC(=O)CCOc1cccnc1.
What is the InChIKey of 3-(3-pyridin-3-yloxypropanoylamino)propanoic acid?
The InChIKey is UMMVWXXNWKVONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-10(13-6-3-11(15)16)4-7-17-9-2-1-5-12-8-9/h1-2,5,8H,3-4,6-7H2,(H,13,14)(H,15,16).
What are the key properties of 3-(3-pyridin-3-yloxypropanoylamino)propanoic acid?
3-(3-pyridin-3-yloxypropanoylamino)propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-yloxypropanoylamino)propanoic acid is sourced from PubChem (CID 110837112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).