2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid

C11H21NO3 — CID 120519831

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

About 2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid

2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid (PubChem CID 120519831) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid
PubChem CID120519831
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid
SMILESCCC(C)C(C)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-5-8(3)9(4)11(15)12(6-2)7-10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyBJKWXTNMPXKLJM-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

2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
CID 61021604
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
2-[2-butylsulfanylpropanoyl(ethyl)amino]acetic acid
CID 115730656
2-[ethyl-(3-methyl-4-oxobutanoyl)amino]acetic acid
CID 122413110
2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
CID 61471634
2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488
2-[[(2S,3S)-2-amino-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263366
2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid
CID 81088213
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
CID 62329160
2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid
CID 61022830
2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
CID 106346590

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid?
The IUPAC name of 2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid (CID 120519831) is 2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid is CCC(C)C(C)C(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid?
The InChIKey is BJKWXTNMPXKLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-8(3)9(4)11(15)12(6-2)7-10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid?
2-[2,3-dimethylpentanoyl(ethyl)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-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid is sourced from PubChem (CID 120519831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).