2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid

C16H19NO3 — CID 122107603

IUPAC2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
SMILESCC(C(=O)O)C(NC(=O)C1CC12CC2)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-10(15(19)20)13(11-5-3-2-4-6-11)17-14(18)12-9-16(12)7-8-16/h2-6,10,12-13H,7-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyISHPOWWCLQYXSF-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.36
Rot. Bonds5

About 2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid

2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid (PubChem CID 122107603) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
PubChem CID122107603
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
SMILESCC(C(=O)O)C(NC(=O)C1CC12CC2)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-10(15(19)20)13(11-5-3-2-4-6-11)17-14(18)12-9-16(12)7-8-16/h2-6,10,12-13H,7-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyISHPOWWCLQYXSF-UHFFFAOYSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.36
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
2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
CID 119197362
N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide
CID 167890511
4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid
CID 122107417
2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid
CID 120686881
3-(3,4-dihydro-2H-chromene-3-carbonylamino)-2-methyl-3-phenylpropanoic acid
CID 119218779
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
3-(3-cyclopropylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 119219119
(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058748
(1R)-2,2-difluoro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058749
2-methyl-3-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119218736

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid (CID 122107603) is 2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid is CC(C(=O)O)C(NC(=O)C1CC12CC2)c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid?
The InChIKey is ISHPOWWCLQYXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(15(19)20)13(11-5-3-2-4-6-11)17-14(18)12-9-16(12)7-8-16/h2-6,10,12-13H,7-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid?
2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid is sourced from PubChem (CID 122107603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).