2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid

C17H23NO3 — CID 79901122

IUPAC2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid
SMILESO=C(O)C(NC1CCOC2(CCCC2)C1)c1ccccc1
InChIInChI=1S/C17H23NO3/c19-16(20)15(13-6-2-1-3-7-13)18-14-8-11-21-17(12-14)9-4-5-10-17/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,19,20)
InChIKeyMPXZGYXDHAAFHQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.89
Rot. Bonds4

About 2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid

2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid (PubChem CID 79901122) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid
PubChem CID79901122
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid
SMILESO=C(O)C(NC1CCOC2(CCCC2)C1)c1ccccc1
InChIInChI=1S/C17H23NO3/c19-16(20)15(13-6-2-1-3-7-13)18-14-8-11-21-17(12-14)9-4-5-10-17/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,19,20)
InChIKeyMPXZGYXDHAAFHQ-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 104591426
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone
CID 116551165
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86770976
N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894899
2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
CID 119197362
2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81348055
N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107644684
N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79895662
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid?
The IUPAC name of 2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid (CID 79901122) is 2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid is O=C(O)C(NC1CCOC2(CCCC2)C1)c1ccccc1.
What is the InChIKey of 2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid?
The InChIKey is MPXZGYXDHAAFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(20)15(13-6-2-1-3-7-13)18-14-8-11-21-17(12-14)9-4-5-10-17/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,19,20).
What are the key properties of 2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid?
2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid has a molecular weight of 289.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid is sourced from PubChem (CID 79901122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).