2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid

C12H23NO4 — CID 120531855

IUPAC2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid
SMILESCCC(C)C(C)C(=O)NC(C)(COC)C(=O)O
InChIInChI=1S/C12H23NO4/c1-6-8(2)9(3)10(14)13-12(4,7-17-5)11(15)16/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyWJTTVCRGYQVRQU-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.27
Rot. Bonds7

About 2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid

2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid (PubChem CID 120531855) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid
PubChem CID120531855
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid
SMILESCCC(C)C(C)C(=O)NC(C)(COC)C(=O)O
InChIInChI=1S/C12H23NO4/c1-6-8(2)9(3)10(14)13-12(4,7-17-5)11(15)16/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyWJTTVCRGYQVRQU-UHFFFAOYSA-N
XLogP1.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910298
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
CID 120517032
2-(2,3-dimethylpentanoylamino)-2-methylpropanoic acid
CID 120515956
2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531922
2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910285
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115910312
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563
2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid
CID 79798220
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]propanoic acid
CID 120531700

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid (CID 120531855) is 2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid is CCC(C)C(C)C(=O)NC(C)(COC)C(=O)O.
What is the InChIKey of 2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid?
The InChIKey is WJTTVCRGYQVRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-6-8(2)9(3)10(14)13-12(4,7-17-5)11(15)16/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid?
2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 120531855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).