methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate

C12H24N2O3 — CID 112616629

IUPACmethyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
SMILESCCN(CC)CCCC(C)NC(=O)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-5-14(6-2)9-7-8-10(3)13-11(15)12(16)17-4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyMDBAOTLKPCWBAZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.79
Rot. Bonds7

About methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate

methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate (PubChem CID 112616629) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
PubChem CID112616629
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
SMILESCCN(CC)CCCC(C)NC(=O)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-5-14(6-2)9-7-8-10(3)13-11(15)12(16)17-4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyMDBAOTLKPCWBAZ-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
CID 43316024
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide
CID 103154141
4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496126
(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid
CID 107565974
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
(E)-4-[5-(diethylamino)pentan-2-ylamino]-4-oxobut-2-enoic acid
CID 5368003

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate?
The IUPAC name of methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate (CID 112616629) is methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate?
The canonical SMILES for methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate is CCN(CC)CCCC(C)NC(=O)C(=O)OC.
What is the InChIKey of methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate?
The InChIKey is MDBAOTLKPCWBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-14(6-2)9-7-8-10(3)13-11(15)12(16)17-4/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate?
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate has a molecular weight of 244.33 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate is sourced from PubChem (CID 112616629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).