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

C11H23NO2 — CID 150761087

IUPAC2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(CN(CC)C(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-7-10(11(13)14)8-12(6-2)9(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyJXVSDSZFYKKOTN-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds7

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

2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid (PubChem CID 150761087) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid
PubChem CID150761087
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(CN(CC)C(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-7-10(11(13)14)8-12(6-2)9(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyJXVSDSZFYKKOTN-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid
CID 54475032
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid
CID 63066872
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)
CID 59610445
formic acid;2-propylpentanoic acid
CID 87531584
(2S)-2-propylbutanedioic acid
CID 12648185
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
(2S)-2-(diethylamino)propanoic acid
CID 18664197

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid (CID 150761087) is 2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid is CCCC(CN(CC)C(C)C)C(=O)O.
What is the InChIKey of 2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid?
The InChIKey is JXVSDSZFYKKOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-10(11(13)14)8-12(6-2)9(3)4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid?
2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid is sourced from PubChem (CID 150761087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).