2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid

C12H17N3O4 — CID 106109788

IUPAC2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
SMILESCOC(CNC(=O)NCCc1ccncc1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-19-10(11(16)17)8-15-12(18)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyZOBPTXMAGBGHNP-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.02
Rot. Bonds7

About 2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid

2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid (PubChem CID 106109788) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
PubChem CID106109788
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
SMILESCOC(CNC(=O)NCCc1ccncc1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-19-10(11(16)17)8-15-12(18)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyZOBPTXMAGBGHNP-UHFFFAOYSA-N
XLogP0.02
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 81069402
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
(2S)-2-hydroxy-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 107838621
3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109609
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79464389
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109635
2-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106110175
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761
3-[(4-fluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106109659
3-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106110715
4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid
CID 102699691

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid (CID 106109788) is 2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid is COC(CNC(=O)NCCc1ccncc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid?
The InChIKey is ZOBPTXMAGBGHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-10(11(16)17)8-15-12(18)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid?
2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid has a molecular weight of 267.29 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 106109788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).