2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid

C11H21NO3 — CID 62033717

IUPAC2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)5-10(13)12(6-9(3)4)7-11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyCNXNBSHERHESCN-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.60
Rot. Bonds6

About 2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid

2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid (PubChem CID 62033717) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
PubChem CID62033717
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)5-10(13)12(6-9(3)4)7-11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyCNXNBSHERHESCN-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 144977230
2-[2-methylpropyl-(2-methylsulfanylacetyl)amino]acetic acid
CID 62032636
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63645438
2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid
CID 118650049
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
2-[2-methylpropyl(4-methylsulfanylbutanoyl)amino]acetic acid
CID 115909757
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid
CID 86814558
2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119192819
2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
CID 63064871
2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid
CID 119193019
N-(2-methylpropyl)-N-(2-oxopropyl)propanamide
CID 88936826

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid (CID 62033717) is 2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid is CC(C)CC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid?
The InChIKey is CNXNBSHERHESCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)5-10(13)12(6-9(3)4)7-11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid?
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 62033717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).