2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid

C15H17NO4 — CID 122107946

IUPAC2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)C2CC23CC3)c1
InChIInChI=1S/C15H17NO4/c17-13(18)9-20-11-3-1-2-10(6-11)8-16-14(19)12-7-15(12)4-5-15/h1-3,6,12H,4-5,7-9H2,(H,16,19)(H,17,18)
InChIKeyJCJMMYOPNIOAEV-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.57
Rot. Bonds6

About 2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid

2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid (PubChem CID 122107946) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid
PubChem CID122107946
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)C2CC23CC3)c1
InChIInChI=1S/C15H17NO4/c17-13(18)9-20-11-3-1-2-10(6-11)8-16-14(19)12-7-15(12)4-5-15/h1-3,6,12H,4-5,7-9H2,(H,16,19)(H,17,18)
InChIKeyJCJMMYOPNIOAEV-UHFFFAOYSA-N
XLogP1.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]methyl]phenoxy]acetic acid
CID 125150216
2-[3-[[[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]methyl]phenoxy]acetic acid
CID 125150215
2-[3-[[(1-methylsulfonylcyclopentanecarbonyl)amino]methyl]phenoxy]acetic acid
CID 119246792
2-[3-[[(1,1-dioxothiane-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120527385
2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid
CID 122108484
2-[3-[[[(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 125131749
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 119246486
2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246596
2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131951276
6-[(3-phenoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126466559
2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 119246489

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid (CID 122107946) is 2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid is O=C(O)COc1cccc(CNC(=O)C2CC23CC3)c1.
What is the InChIKey of 2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid?
The InChIKey is JCJMMYOPNIOAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-13(18)9-20-11-3-1-2-10(6-11)8-16-14(19)12-7-15(12)4-5-15/h1-3,6,12H,4-5,7-9H2,(H,16,19)(H,17,18).
What are the key properties of 2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid?
2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid has a molecular weight of 275.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid is sourced from PubChem (CID 122107946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).