4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid

C15H30N2O3 — CID 103496126

IUPAC4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCN(CC)CCCC(C)NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-6-17(7-2)10-8-9-11(3)16-14(18)12(4)13(5)15(19)20/h11-13H,6-10H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyOTPNBAPVIWVPCJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.97
Rot. Bonds10

About 4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid

4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103496126) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103496126
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCN(CC)CCCC(C)NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-6-17(7-2)10-8-9-11(3)16-14(18)12(4)13(5)15(19)20/h11-13H,6-10H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyOTPNBAPVIWVPCJ-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
CID 103233778
3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 62670098
(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid
CID 107565974
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
(E)-4-[5-(diethylamino)pentan-2-ylamino]-4-oxobut-2-enoic acid
CID 5368003
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid
CID 61454676

Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid (CID 103496126) is 4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid is CCN(CC)CCCC(C)NC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is OTPNBAPVIWVPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-17(7-2)10-8-9-11(3)16-14(18)12(4)13(5)15(19)20/h11-13H,6-10H2,1-5H3,(H,16,18)(H,19,20).
What are the key properties of 4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid?
4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103496126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).