2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid

C12H25NO2 — CID 106488970

IUPAC2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid
SMILESCCC(CC)C(CN)(CC(C)C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-5-10(6-2)12(8-13,11(14)15)7-9(3)4/h9-10H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyHRYMVDZQYBQUOJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds7

About 2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid

2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid (PubChem CID 106488970) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid
PubChem CID106488970
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid
SMILESCCC(CC)C(CN)(CC(C)C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-5-10(6-2)12(8-13,11(14)15)7-9(3)4/h9-10H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyHRYMVDZQYBQUOJ-UHFFFAOYSA-N
XLogP2.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 106489127
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
2-(aminomethyl)-2-propan-2-ylhexanoic acid
CID 106488461
2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
CID 106489017
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547
2-(aminomethyl)-2-(2,2-difluoroethyl)-4-methylpentanoic acid
CID 106488966
2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid
CID 87921262
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
CID 106488991
2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid
CID 106488526
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid (CID 106488970) is 2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid is CCC(CC)C(CN)(CC(C)C)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid?
The InChIKey is HRYMVDZQYBQUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-10(6-2)12(8-13,11(14)15)7-9(3)4/h9-10H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid?
2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid is sourced from PubChem (CID 106488970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).