(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid

C14H15NO3 — CID 122111245

IUPAC(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)C1CC12CC2
InChIInChI=1S/C14H15NO3/c16-12(10-8-14(10)6-7-14)15-11(13(17)18)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)(H,17,18)/t10?,11-/m1/s1
InChIKeyVKPUZTWJEGWGNF-RRKGBCIJSA-N
MW245.28 g/mol
LogP1.73
Rot. Bonds4

About (2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid

(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid (PubChem CID 122111245) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
PubChem CID122111245
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)C1CC12CC2
InChIInChI=1S/C14H15NO3/c16-12(10-8-14(10)6-7-14)15-11(13(17)18)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)(H,17,18)/t10?,11-/m1/s1
InChIKeyVKPUZTWJEGWGNF-RRKGBCIJSA-N
XLogP1.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
CID 119197362
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)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
CID 899685
(2S)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]-2-phenylacetic acid
CID 107175933
4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid
CID 122107417
2-[(6,6-dioxo-6λ6-thiaspiro[2.5]octane-2-carbonyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 120688349
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 167986499
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
CID 119367879
6-[[carboxy(phenyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 5082328

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid (CID 122111245) is (2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)C1CC12CC2.
What is the InChIKey of (2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid?
The InChIKey is VKPUZTWJEGWGNF-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12(10-8-14(10)6-7-14)15-11(13(17)18)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)(H,17,18)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid?
(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid is sourced from PubChem (CID 122111245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).