2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid

C13H28N2O2 — CID 106805764

IUPAC2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
SMILESCCCN(CCCC(N)(CC)C(=O)O)C(C)C
InChIInChI=1S/C13H28N2O2/c1-5-9-15(11(3)4)10-7-8-13(14,6-2)12(16)17/h11H,5-10,14H2,1-4H3,(H,16,17)
InChIKeyHIZVZTUZKYERAO-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.08
Rot. Bonds9

About 2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid

2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid (PubChem CID 106805764) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
PubChem CID106805764
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
SMILESCCCN(CCCC(N)(CC)C(=O)O)C(C)C
InChIInChI=1S/C13H28N2O2/c1-5-9-15(11(3)4)10-7-8-13(14,6-2)12(16)17/h11H,5-10,14H2,1-4H3,(H,16,17)
InChIKeyHIZVZTUZKYERAO-UHFFFAOYSA-N
XLogP2.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid
CID 106805744
2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid
CID 106805714
2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
CID 106805783
2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
CID 106806545
2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 106805763
2-ethyl-2-[[propan-2-yl(propyl)amino]methyl]butanoic acid
CID 62272669
2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
CID 106806458
2-amino-2-ethyl-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755879
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
2-amino-2-octadecylicosanoic acid
CID 18935913
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid (CID 106805764) is 2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid is CCCN(CCCC(N)(CC)C(=O)O)C(C)C.
What is the InChIKey of 2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid?
The InChIKey is HIZVZTUZKYERAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-9-15(11(3)4)10-7-8-13(14,6-2)12(16)17/h11H,5-10,14H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid?
2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid has a molecular weight of 244.38 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid is sourced from PubChem (CID 106805764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).