2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid

C18H25NO3 — CID 120701287

IUPAC2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1C(C)(C)C1(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-16(2)13(17(16,3)4)14(20)19-11-18(5,15(21)22)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3,(H,19,20)(H,21,22)
InChIKeyDRXXVUADNNJIEB-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid

2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 120701287) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID120701287
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1C(C)(C)C1(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-16(2)13(17(16,3)4)14(20)19-11-18(5,15(21)22)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3,(H,19,20)(H,21,22)
InChIKeyDRXXVUADNNJIEB-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120701285
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700845
2-methyl-3-(3-methylsulfanylpropanoylamino)-2-phenylpropanoic acid
CID 120701360
3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700962
3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700737
3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701031
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
3-(3-ethylpentanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701007
3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700956

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (CID 120701287) is 2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is CC(CNC(=O)C1C(C)(C)C1(C)C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is DRXXVUADNNJIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-16(2)13(17(16,3)4)14(20)19-11-18(5,15(21)22)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3,(H,19,20)(H,21,22).
What are the key properties of 2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 303.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 120701287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).