2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid

C16H19NO4 — CID 122109303

IUPAC2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid
SMILESCC(NC(=O)C1CC12CC2)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C16H19NO4/c1-10(17-15(20)13-8-16(13)6-7-16)11-2-4-12(5-3-11)21-9-14(18)19/h2-5,10,13H,6-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyDFUNUYHKKXGEHB-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.13
Rot. Bonds6

About 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid

2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid (PubChem CID 122109303) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid
PubChem CID122109303
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid
SMILESCC(NC(=O)C1CC12CC2)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C16H19NO4/c1-10(17-15(20)13-8-16(13)6-7-16)11-2-4-12(5-3-11)21-9-14(18)19/h2-5,10,13H,6-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyDFUNUYHKKXGEHB-UHFFFAOYSA-N
XLogP2.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1S)-1-[(4,4-difluorocyclohexanecarbonyl)amino]ethyl]phenoxy]acetic acid
CID 129468768
2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid
CID 122108484
(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
CID 899685
2-[4-[(1R)-1-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 129469380
2-[4-[1-[[(4Z)-cyclooct-4-ene-1-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 138029154
N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 81355599
2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid
CID 122107946
2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 129468921
2-[4-(1,3-dioxopropan-2-yl)phenoxy]acetic acid
CID 90967444
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
CID 122107603
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid (CID 122109303) is 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid is CC(NC(=O)C1CC12CC2)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid?
The InChIKey is DFUNUYHKKXGEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(17-15(20)13-8-16(13)6-7-16)11-2-4-12(5-3-11)21-9-14(18)19/h2-5,10,13H,6-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid?
2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid is sourced from PubChem (CID 122109303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).