2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid

C11H19NO3 — CID 62680100

IUPAC2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid
SMILESCCC(C)(C)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-4-11(2,3)10(15)12(7-9(13)14)8-5-6-8/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyWRBMYNHUDOFTOK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds5

About 2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid

2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid (PubChem CID 62680100) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid
PubChem CID62680100
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid
SMILESCCC(C)(C)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-4-11(2,3)10(15)12(7-9(13)14)8-5-6-8/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyWRBMYNHUDOFTOK-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid (CID 62680100) is 2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid is CCC(C)(C)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid?
The InChIKey is WRBMYNHUDOFTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-11(2,3)10(15)12(7-9(13)14)8-5-6-8/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid?
2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid is sourced from PubChem (CID 62680100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).