2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid

C17H23NO3 — CID 97234095

IUPAC2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid
SMILESCC(C)(NC(=O)[C@H]1C[C@H]1c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C17H23NO3/c1-16(2,15(20)21)17(3,4)18-14(19)13-10-12(13)11-8-6-5-7-9-11/h5-9,12-13H,10H2,1-4H3,(H,18,19)(H,20,21)/t12-,13-/m0/s1
InChIKeyLNEVXCUYHUMEON-STQMWFEESA-N
MW289.37 g/mol
LogP2.80
Rot. Bonds5

About 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid

2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid (PubChem CID 97234095) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid
PubChem CID97234095
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid
SMILESCC(C)(NC(=O)[C@H]1C[C@H]1c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C17H23NO3/c1-16(2,15(20)21)17(3,4)18-14(19)13-10-12(13)11-8-6-5-7-9-11/h5-9,12-13H,10H2,1-4H3,(H,18,19)(H,20,21)/t12-,13-/m0/s1
InChIKeyLNEVXCUYHUMEON-STQMWFEESA-N
XLogP2.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid with MolForge

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 113275566
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363591
2-methyl-2-[[4-[4-[[(2R)-2-phenylcyclopropanecarbonyl]amino]phenyl]cyclohexanecarbonyl]amino]propanoic acid
CID 143736706
3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261547
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid (CID 97234095) is 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid is CC(C)(NC(=O)[C@H]1C[C@H]1c1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid?
The InChIKey is LNEVXCUYHUMEON-STQMWFEESA-N. The full InChI is InChI=1S/C17H23NO3/c1-16(2,15(20)21)17(3,4)18-14(19)13-10-12(13)11-8-6-5-7-9-11/h5-9,12-13H,10H2,1-4H3,(H,18,19)(H,20,21)/t12-,13-/m0/s1.
What are the key properties of 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid has a molecular weight of 289.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 97234095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).