2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid

C11H21NO3 — CID 115729781

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

About 2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid

2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid (PubChem CID 115729781) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid
PubChem CID115729781
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid
SMILESCCC(CC(=O)N(C)CC(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-9(8(2)3)6-10(13)12(4)7-11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyWNPBDWDUHNWAJJ-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-Methyl-N-(3-methyl-1-oxobutyl)glycine
CID 137394
(2S)-4-methyl-2-(N-methylacetamido)pentanoic acid
CID 10877862
N-hexanoyl-N-methylglycine
CID 14129402
2-(N-methylcyclohexanecarboxamido)acetic acid
CID 16773468
2-[Cycloheptanecarbonyl(ethyl)amino]acetic acid
CID 62585418
2-[(2,2-Difluoro-4-methylpentanoyl)-methylamino]acetic acid
CID 57700729
4-Methyl-2-(N-methylacetamido)pentanoic acid
CID 23279429
2-[2-Methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257719
2-[2,2,2-Trifluoroethyl(3,5,5-trimethylhexanoyl)amino]acetic acid
CID 79257728
2-[4-Methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257806
2-[2-Ethylhexanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258059
2-[(2,2,3,3-Tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258138

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid (CID 115729781) is 2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid is CCC(CC(=O)N(C)CC(=O)O)C(C)C.
What is the InChIKey of 2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid?
The InChIKey is WNPBDWDUHNWAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-9(8(2)3)6-10(13)12(4)7-11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid?
2-[(3-ethyl-4-methylpentanoyl)-methylamino]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-ethyl-4-methylpentanoyl)-methylamino]acetic acid is sourced from PubChem (CID 115729781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).