2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid

C13H28N2O2 — CID 61318115

IUPAC2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid
SMILESCCC(CC)C(NCCN(CC)CC)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-5-11(6-2)12(13(16)17)14-9-10-15(7-3)8-4/h11-12,14H,5-10H2,1-4H3,(H,16,17)
InChIKeyHHOQNVDDTWKFHR-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.81
Rot. Bonds10

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

2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid (PubChem CID 61318115) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid
PubChem CID61318115
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid
SMILESCCC(CC)C(NCCN(CC)CC)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-5-11(6-2)12(13(16)17)14-9-10-15(7-3)8-4/h11-12,14H,5-10H2,1-4H3,(H,16,17)
InChIKeyHHOQNVDDTWKFHR-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
CID 16789059
2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine
CID 65382937
3-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 61317910
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562
(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
CID 140981705
2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid
CID 64670148
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
(2S)-2-amino-4-[2-(diethylamino)ethylamino]-4-oxobutanoic acid
CID 131886463
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid (CID 61318115) is 2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid is CCC(CC)C(NCCN(CC)CC)C(=O)O.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid?
The InChIKey is HHOQNVDDTWKFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-11(6-2)12(13(16)17)14-9-10-15(7-3)8-4/h11-12,14H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid?
2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid has a molecular weight of 244.38 g/mol, XLogP of 1.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid is sourced from PubChem (CID 61318115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).