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

C13H23NO4 — CID 124685214

IUPAC(2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCOC[C@](C)(NC(=O)C1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C13H23NO4/c1-11(2)8(12(11,3)4)9(15)14-13(5,7-18-6)10(16)17/h8H,7H2,1-6H3,(H,14,15)(H,16,17)/t13-/m0/s1
InChIKeyAJGSGMPEBYXBPX-ZDUSSCGKSA-N
MW257.33 g/mol
LogP1.27
Rot. Bonds5

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

(2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 124685214) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID124685214
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCOC[C@](C)(NC(=O)C1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C13H23NO4/c1-11(2)8(12(11,3)4)9(15)14-13(5,7-18-6)10(16)17/h8H,7H2,1-6H3,(H,14,15)(H,16,17)/t13-/m0/s1
InChIKeyAJGSGMPEBYXBPX-ZDUSSCGKSA-N
XLogP1.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (CID 124685214) is (2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is COC[C@](C)(NC(=O)C1C(C)(C)C1(C)C)C(=O)O.
What is the InChIKey of (2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is AJGSGMPEBYXBPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23NO4/c1-11(2)8(12(11,3)4)9(15)14-13(5,7-18-6)10(16)17/h8H,7H2,1-6H3,(H,14,15)(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
(2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 124685214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).