2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid

C12H25NO2 — CID 114868053

IUPAC2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCCNC(CC(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-6-13-12(11(14)15,7-9(2)3)8-10(4)5/h9-10,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyRJBIGRJKFIDBAN-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.51
Rot. Bonds7

About 2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid

2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid (PubChem CID 114868053) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid
PubChem CID114868053
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCCNC(CC(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-6-13-12(11(14)15,7-9(2)3)8-10(4)5/h9-10,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyRJBIGRJKFIDBAN-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid
CID 114868055
4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid
CID 114868050
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755851
2-benzyl-2-(ethylamino)-3-phenylpropanoic acid
CID 43753784
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid
CID 107756102
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
CID 79803549

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
The IUPAC name of 2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid (CID 114868053) is 2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
The canonical SMILES for 2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid is CCNC(CC(C)C)(CC(C)C)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
The InChIKey is RJBIGRJKFIDBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-13-12(11(14)15,7-9(2)3)8-10(4)5/h9-10,13H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid is sourced from PubChem (CID 114868053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).