2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid

C10H21NO2 — CID 54475032

IUPAC2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(CN(C)C(C)C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-6-9(10(12)13)7-11(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyXKYPYTSBQJJPGL-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds6

About 2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid

2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid (PubChem CID 54475032) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid
PubChem CID54475032
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(CN(C)C(C)C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-6-9(10(12)13)7-11(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyXKYPYTSBQJJPGL-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid
CID 150761087
carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)
CID 59610445
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
formic acid;2-propylpentanoic acid
CID 87531584
(2S)-2-propylbutanedioic acid
CID 12648185
N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide
CID 153397334
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid
CID 65067442

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid (CID 54475032) is 2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid is CCCC(CN(C)C(C)C)C(=O)O.
What is the InChIKey of 2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid?
The InChIKey is XKYPYTSBQJJPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-9(10(12)13)7-11(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid?
2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid is sourced from PubChem (CID 54475032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).