2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid

C16H35N3O2 — CID 106806545

IUPAC2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
SMILESCCN(CC)CCCN(CC)CCCC(N)(CC)C(=O)O
InChIInChI=1S/C16H35N3O2/c1-5-16(17,15(20)21)11-9-12-19(8-4)14-10-13-18(6-2)7-3/h5-14,17H2,1-4H3,(H,20,21)
InChIKeyOJMLGDGXVPDDLO-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.01
Rot. Bonds13

About 2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid

2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid (PubChem CID 106806545) has the molecular formula C16H35N3O2 and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
PubChem CID106806545
Molecular FormulaC16H35N3O2
Molecular Weight301.47 g/mol
Exact Mass301.27
IUPAC Name2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
SMILESCCN(CC)CCCN(CC)CCCC(N)(CC)C(=O)O
InChIInChI=1S/C16H35N3O2/c1-5-16(17,15(20)21)11-9-12-19(8-4)14-10-13-18(6-2)7-3/h5-14,17H2,1-4H3,(H,20,21)
InChIKeyOJMLGDGXVPDDLO-UHFFFAOYSA-N
XLogP2.01
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
CID 106806458
2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid
CID 106805744
2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
CID 106805783
2-amino-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide
CID 102993073
2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid
CID 106805714
2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 106805764
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
CID 144859243
2-amino-2-ethyl-6-(ethylamino)hexanoic acid
CID 123842280
2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid
CID 106807179
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol
CID 102998428

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid?
The IUPAC name of 2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid (CID 106806545) is 2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid.
What is the SMILES notation for 2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid?
The canonical SMILES for 2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid is CCN(CC)CCCN(CC)CCCC(N)(CC)C(=O)O.
What is the InChIKey of 2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid?
The InChIKey is OJMLGDGXVPDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O2/c1-5-16(17,15(20)21)11-9-12-19(8-4)14-10-13-18(6-2)7-3/h5-14,17H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid?
2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid has a molecular weight of 301.47 g/mol, XLogP of 2.01, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid is sourced from PubChem (CID 106806545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).