2-[ethyl(propyl)amino]-2-propylpentanoic acid

C13H27NO2 — CID 114990856

IUPAC2-[ethyl(propyl)amino]-2-propylpentanoic acid
SMILESCCCN(CC)C(CCC)(CCC)C(=O)O
InChIInChI=1S/C13H27NO2/c1-5-9-13(10-6-2,12(15)16)14(8-4)11-7-3/h5-11H2,1-4H3,(H,15,16)
InChIKeyKAEKRHZYDDGRHQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.14
Rot. Bonds9

About 2-[ethyl(propyl)amino]-2-propylpentanoic acid

2-[ethyl(propyl)amino]-2-propylpentanoic acid (PubChem CID 114990856) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[ethyl(propyl)amino]-2-propylpentanoic acid.

Molecular Properties

Compound Name2-[ethyl(propyl)amino]-2-propylpentanoic acid
PubChem CID114990856
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[ethyl(propyl)amino]-2-propylpentanoic acid
SMILESCCCN(CC)C(CCC)(CCC)C(=O)O
InChIInChI=1S/C13H27NO2/c1-5-9-13(10-6-2,12(15)16)14(8-4)11-7-3/h5-11H2,1-4H3,(H,15,16)
InChIKeyKAEKRHZYDDGRHQ-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(propyl)amino]-2-propylpentanoic acid
CID 55233791
2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999200
2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
CID 79355288
2-(dipropylamino)-2-methylbutanoic acid
CID 78969481
2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid
CID 114988470
[ethyl(propyl)amino]methanetriol
CID 169119513
2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
CID 63652155
(2S)-2-[dodecyl(octadecyl)amino]-2-octadecylpentanedioic acid
CID 175329642
(2S)-2-(didodecylamino)-2-octylpentanedioic acid
CID 175737801
(2S)-2-(2-methylsulfanylethyl)-2-[pentyl(prop-2-enyl)amino]pentanoic acid
CID 175420241
2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid
CID 175257777
(2S)-2-benzyl-2-(dibenzylamino)pentanoic acid
CID 66813994

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propyl)amino]-2-propylpentanoic acid?
The IUPAC name of 2-[ethyl(propyl)amino]-2-propylpentanoic acid (CID 114990856) is 2-[ethyl(propyl)amino]-2-propylpentanoic acid.
What is the SMILES notation for 2-[ethyl(propyl)amino]-2-propylpentanoic acid?
The canonical SMILES for 2-[ethyl(propyl)amino]-2-propylpentanoic acid is CCCN(CC)C(CCC)(CCC)C(=O)O.
What is the InChIKey of 2-[ethyl(propyl)amino]-2-propylpentanoic acid?
The InChIKey is KAEKRHZYDDGRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-9-13(10-6-2,12(15)16)14(8-4)11-7-3/h5-11H2,1-4H3,(H,15,16).
What are the key properties of 2-[ethyl(propyl)amino]-2-propylpentanoic acid?
2-[ethyl(propyl)amino]-2-propylpentanoic acid has a molecular weight of 229.36 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)amino]-2-propylpentanoic acid is sourced from PubChem (CID 114990856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).