(2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid

C15H23N3O3 — CID 166310406

IUPAC(2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCn1cnc(C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(=O)O)c1
InChIInChI=1S/C15H23N3O3/c1-14(2)11(15(14,3)4)12(19)17-10(13(20)21)6-9-7-18(5)8-16-9/h7-8,10-11H,6H2,1-5H3,(H,17,19)(H,20,21)/t10-/m1/s1
InChIKeyREHUQARTSNSSIK-SNVBAGLBSA-N
MW293.37 g/mol
LogP1.21
Rot. Bonds5

About (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid

(2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 166310406) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID166310406
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCn1cnc(C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(=O)O)c1
InChIInChI=1S/C15H23N3O3/c1-14(2)11(15(14,3)4)12(19)17-10(13(20)21)6-9-7-18(5)8-16-9/h7-8,10-11H,6H2,1-5H3,(H,17,19)(H,20,21)/t10-/m1/s1
InChIKeyREHUQARTSNSSIK-SNVBAGLBSA-N
XLogP1.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid with MolForge

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Related Compounds

(2S)-3-(1-methylimidazol-4-yl)-2-(trideuteriomethylamino)propanoic acid
CID 126739603
(2S)-2-[[(3R)-3-amino-3-phenylpropanoyl]amino]-3-(1-methylimidazol-4-yl)propanoic acid
CID 154090472
(2S)-2-hydroxy-3-(1-methylimidazol-4-yl)propanoic acid
CID 125425063
(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
CID 6993114
2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid
CID 90756906
(2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 66477995
ethyl 2-(methylamino)-3-(1-methylimidazol-4-yl)propanoate
CID 123403856
(2S)-2-[[2-(6-bromo-1H-indol-3-yl)acetyl]amino]-3-(1-methylimidazol-4-yl)propanoic acid
CID 102142998
(2S)-2-[[(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-methylbutanoyl]amino]-3-(1-methylimidazol-4-yl)propanoic acid
CID 118727518
methyl (2S)-3-(1-methylimidazol-4-yl)-2-[(2-propan-2-yloxyacetyl)amino]propanoate
CID 59096124
(2S)-2-amino-3-[1-(trideuteriomethyl)imidazol-4-yl]propanoic acid
CID 71309270
(2S)-3-(1-aminoimidazol-4-yl)-2-(methylamino)propanoic acid
CID 90775486

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (CID 166310406) is (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is Cn1cnc(C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(=O)O)c1.
What is the InChIKey of (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is REHUQARTSNSSIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-14(2)11(15(14,3)4)12(19)17-10(13(20)21)6-9-7-18(5)8-16-9/h7-8,10-11H,6H2,1-5H3,(H,17,19)(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
(2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 166310406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).