5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid

C11H22N2O3 — CID 62963726

IUPAC5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid
SMILESCCN(C)CCNC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-13(3)6-5-12-10(14)7-9(2)8-11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyORRRQPLVRNOOPV-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.56
Rot. Bonds8

About 5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid

5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 62963726) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid
PubChem CID62963726
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid
SMILESCCN(C)CCNC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-13(3)6-5-12-10(14)7-9(2)8-11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyORRRQPLVRNOOPV-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 146890842
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
CID 62963822
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966422
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
CID 62964548
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 62642428
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62635321
ethane;N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 142011990

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid (CID 62963726) is 5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid is CCN(C)CCNC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is ORRRQPLVRNOOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-13(3)6-5-12-10(14)7-9(2)8-11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid?
5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62963726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).