2-[(4-methylpentanoylamino)methyl]butanoic acid

C11H21NO3 — CID 65218039

IUPAC2-[(4-methylpentanoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)CCC(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-9(11(14)15)7-12-10(13)6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyBXDTWXOZSMZLPI-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds7

About 2-[(4-methylpentanoylamino)methyl]butanoic acid

2-[(4-methylpentanoylamino)methyl]butanoic acid (PubChem CID 65218039) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(4-methylpentanoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(4-methylpentanoylamino)methyl]butanoic acid
PubChem CID65218039
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(4-methylpentanoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)CCC(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-9(11(14)15)7-12-10(13)6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyBXDTWXOZSMZLPI-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
CID 82689234
2-[[3-(methylamino)propanoylamino]methyl]butanoic acid
CID 65224493
N-(2-aminobutyl)-4-methylpentanamide
CID 63730752
2-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65218166
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid
CID 87609068
N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986
2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
CID 65223783
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
N-[(2R)-2-(ethylamino)propyl]-4-methylpentanamide;hydrochloride
CID 120650462

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpentanoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(4-methylpentanoylamino)methyl]butanoic acid (CID 65218039) is 2-[(4-methylpentanoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(4-methylpentanoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(4-methylpentanoylamino)methyl]butanoic acid is CCC(CNC(=O)CCC(C)C)C(=O)O.
What is the InChIKey of 2-[(4-methylpentanoylamino)methyl]butanoic acid?
The InChIKey is BXDTWXOZSMZLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-9(11(14)15)7-12-10(13)6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-methylpentanoylamino)methyl]butanoic acid?
2-[(4-methylpentanoylamino)methyl]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpentanoylamino)methyl]butanoic acid is sourced from PubChem (CID 65218039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).