4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid

C16H19NO3 — CID 122107417

IUPAC4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid
SMILESO=C(O)CCC(NC(=O)C1CC12CC2)c1ccccc1
InChIInChI=1S/C16H19NO3/c18-14(19)7-6-13(11-4-2-1-3-5-11)17-15(20)12-10-16(12)8-9-16/h1-5,12-13H,6-10H2,(H,17,20)(H,18,19)
InChIKeyZXNFDZPAXYXWIA-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.51
Rot. Bonds6

About 4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid

4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid (PubChem CID 122107417) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid
PubChem CID122107417
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid
SMILESO=C(O)CCC(NC(=O)C1CC12CC2)c1ccccc1
InChIInChI=1S/C16H19NO3/c18-14(19)7-6-13(11-4-2-1-3-5-11)17-15(20)12-10-16(12)8-9-16/h1-5,12-13H,6-10H2,(H,17,20)(H,18,19)
InChIKeyZXNFDZPAXYXWIA-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

4-(oxane-4-carbonylamino)-4-phenylbutanoic acid
CID 60825347
(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
CID 122111245
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
(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626221
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-4-phenylbutanoic acid
CID 119201079
(4S)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626219
2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
CID 119197362
(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
CID 899685
propan-2-yl (3R)-3-[[(2S)-6-azaspiro[2.5]octane-2-carbonyl]amino]-3-phenylpropanoate
CID 99640689
4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid
CID 61195062
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid?
The IUPAC name of 4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid (CID 122107417) is 4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid.
What is the SMILES notation for 4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid?
The canonical SMILES for 4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid is O=C(O)CCC(NC(=O)C1CC12CC2)c1ccccc1.
What is the InChIKey of 4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid?
The InChIKey is ZXNFDZPAXYXWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14(19)7-6-13(11-4-2-1-3-5-11)17-15(20)12-10-16(12)8-9-16/h1-5,12-13H,6-10H2,(H,17,20)(H,18,19).
What are the key properties of 4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid?
4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid is sourced from PubChem (CID 122107417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).