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

C9H12N2O3 — CID 81078676

IUPAC3-methoxy-2-(pyridin-4-ylamino)propanoic acid
SMILESCOCC(Nc1ccncc1)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-14-6-8(9(12)13)11-7-2-4-10-5-3-7/h2-5,8H,6H2,1H3,(H,10,11)(H,12,13)
InChIKeyPIHCPTTVRMUJRU-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.59
Rot. Bonds5

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

3-methoxy-2-(pyridin-4-ylamino)propanoic acid (PubChem CID 81078676) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-methoxy-2-(pyridin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(pyridin-4-ylamino)propanoic acid
PubChem CID81078676
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-methoxy-2-(pyridin-4-ylamino)propanoic acid
SMILESCOCC(Nc1ccncc1)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-14-6-8(9(12)13)11-7-2-4-10-5-3-7/h2-5,8H,6H2,1H3,(H,10,11)(H,12,13)
InChIKeyPIHCPTTVRMUJRU-UHFFFAOYSA-N
XLogP0.59
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methoxy-4-oxo-2-(pyridin-4-ylamino)butanoic acid
CID 119091878
3-methoxy-2-(4-phenylanilino)propanoic acid
CID 103230384
2-(4-acetylanilino)-3-methoxypropanoic acid
CID 112518179
3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid
CID 81077972
3-methoxy-2-(4-sulfamoylanilino)propanoic acid
CID 81079040
3-methoxy-2-(thiophen-3-ylamino)propanoic acid
CID 103255779
3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid
CID 103256739
3-methoxy-2-[(6-nitro-3-pyridinyl)amino]propanoic acid
CID 81078858
3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine
CID 106182027
3-methoxy-2-(3-phenoxyanilino)propanoic acid
CID 103243354
2-(4-bromo-3-methoxyanilino)-3-methoxypropanoic acid
CID 103261943
2-(3-chloro-4-methoxyanilino)-3-methoxypropanoic acid
CID 112519196

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(pyridin-4-ylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(pyridin-4-ylamino)propanoic acid (CID 81078676) is 3-methoxy-2-(pyridin-4-ylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(pyridin-4-ylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(pyridin-4-ylamino)propanoic acid is COCC(Nc1ccncc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(pyridin-4-ylamino)propanoic acid?
The InChIKey is PIHCPTTVRMUJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-6-8(9(12)13)11-7-2-4-10-5-3-7/h2-5,8H,6H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-methoxy-2-(pyridin-4-ylamino)propanoic acid?
3-methoxy-2-(pyridin-4-ylamino)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(pyridin-4-ylamino)propanoic acid is sourced from PubChem (CID 81078676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).