2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid

C13H28N2O2 — CID 106805783

IUPAC2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
SMILESCCCCCN(C)CCCC(N)(CC)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-4-6-7-10-15(3)11-8-9-13(14,5-2)12(16)17/h4-11,14H2,1-3H3,(H,16,17)
InChIKeyXXSBXRRZJRKTPC-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.08
Rot. Bonds10

About 2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid

2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid (PubChem CID 106805783) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
PubChem CID106805783
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
SMILESCCCCCN(C)CCCC(N)(CC)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-4-6-7-10-15(3)11-8-9-13(14,5-2)12(16)17/h4-11,14H2,1-3H3,(H,16,17)
InChIKeyXXSBXRRZJRKTPC-UHFFFAOYSA-N
XLogP2.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid
CID 106805714
2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
CID 106806545
2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 106805764
2-amino-2-octadecylicosanoic acid
CID 18935913
2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid
CID 106805744
2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 106805981
2-amino-6-borono-2-[2-[methyl(propyl)amino]ethyl]hexanoic acid
CID 78110000
2-amino-6-borono-2-[3-[2-(dimethylamino)ethyl-methylamino]propyl]hexanoic acid
CID 88551263
2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
CID 106806458
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
CID 106806273
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid (CID 106805783) is 2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid is CCCCCN(C)CCCC(N)(CC)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid?
The InChIKey is XXSBXRRZJRKTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-6-7-10-15(3)11-8-9-13(14,5-2)12(16)17/h4-11,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid?
2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid has a molecular weight of 244.38 g/mol, XLogP of 2.08, 10 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-[methyl(pentyl)amino]pentanoic acid is sourced from PubChem (CID 106805783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).