2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid

C16H16N2O4 — CID 101045266

IUPAC2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C16H16N2O4/c19-15(18-10-16(20)21)9-12-4-6-14(7-5-12)22-11-13-3-1-2-8-17-13/h1-8H,9-11H2,(H,18,19)(H,20,21)
InChIKeyRFFRBCKTKFJNSQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.40
Rot. Bonds7

About 2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid

2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid (PubChem CID 101045266) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid
PubChem CID101045266
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C16H16N2O4/c19-15(18-10-16(20)21)9-12-4-6-14(7-5-12)22-11-13-3-1-2-8-17-13/h1-8H,9-11H2,(H,18,19)(H,20,21)
InChIKeyRFFRBCKTKFJNSQ-UHFFFAOYSA-N
XLogP1.40
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide
CID 56798152
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
(E)-N-[2-(benzylamino)-2-oxoethyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55676181
2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999304
(2S)-4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-2-ylmethoxy)phenyl]pentan-3-one
CID 59915344
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534175
2-(phenoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 24512524

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid (CID 101045266) is 2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid?
The InChIKey is RFFRBCKTKFJNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(18-10-16(20)21)9-12-4-6-14(7-5-12)22-11-13-3-1-2-8-17-13/h1-8H,9-11H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid?
2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid has a molecular weight of 300.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 101045266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).