2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid

C16H19NO3 — CID 119197362

IUPAC2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
SMILESO=C(O)C(NC(=O)C1CC12CCCC2)c1ccccc1
InChIInChI=1S/C16H19NO3/c18-14(12-10-16(12)8-4-5-9-16)17-13(15(19)20)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,18)(H,19,20)
InChIKeyCTSQBSZWPUWNKX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.51
Rot. Bonds4

About 2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid

2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid (PubChem CID 119197362) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
PubChem CID119197362
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
SMILESO=C(O)C(NC(=O)C1CC12CCCC2)c1ccccc1
InChIInChI=1S/C16H19NO3/c18-14(12-10-16(12)8-4-5-9-16)17-13(15(19)20)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,18)(H,19,20)
InChIKeyCTSQBSZWPUWNKX-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
CID 122111245
(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
CID 899685
(2S)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]-2-phenylacetic acid
CID 107175933
2-[(6,6-dioxo-6λ6-thiaspiro[2.5]octane-2-carbonyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 120688349
2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
CID 122107603
N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide
CID 167890511
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid
CID 122107417
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 167986499
(2S)-2-phenyl-2-(thiane-2-carbonylamino)acetic acid
CID 104897044
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
CID 119367879

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid?
The IUPAC name of 2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid (CID 119197362) is 2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid?
The canonical SMILES for 2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid is O=C(O)C(NC(=O)C1CC12CCCC2)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid?
The InChIKey is CTSQBSZWPUWNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14(12-10-16(12)8-4-5-9-16)17-13(15(19)20)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid?
2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid is sourced from PubChem (CID 119197362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).