3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid

C17H20N2O3 — CID 119911946

IUPAC3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C17H20N2O3/c1-19(11-8-17(20)21)12-14-2-4-16(5-3-14)22-13-15-6-9-18-10-7-15/h2-7,9-10H,8,11-13H2,1H3,(H,20,21)
InChIKeyMRNQFXHUUAAZJP-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.57
Rot. Bonds8

About 3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid

3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid (PubChem CID 119911946) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid
PubChem CID119911946
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C17H20N2O3/c1-19(11-8-17(20)21)12-14-2-4-16(5-3-14)22-13-15-6-9-18-10-7-15/h2-7,9-10H,8,11-13H2,1H3,(H,20,21)
InChIKeyMRNQFXHUUAAZJP-UHFFFAOYSA-N
XLogP2.57
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503
4-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-methylamino]butanoic acid
CID 65068126
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
3-[2-oxopropyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82329113
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 96605911
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
CID 146593712
3-[2-methylpropanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323624

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid (CID 119911946) is 3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid is CN(CCC(=O)O)Cc1ccc(OCc2ccncc2)cc1.
What is the InChIKey of 3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid?
The InChIKey is MRNQFXHUUAAZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-19(11-8-17(20)21)12-14-2-4-16(5-3-14)22-13-15-6-9-18-10-7-15/h2-7,9-10H,8,11-13H2,1H3,(H,20,21).
What are the key properties of 3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid?
3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid is sourced from PubChem (CID 119911946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).