4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid

C16H30N2O3 — CID 83107807

IUPAC4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCC1(N(C)C)CCCC1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-5-15(6-2,14(20)21)11-13(19)17-12-16(18(3)4)9-7-8-10-16/h5-12H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyZIUSGZAJGMPXEH-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.26
Rot. Bonds8

About 4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid

4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid (PubChem CID 83107807) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid
PubChem CID83107807
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCC1(N(C)C)CCCC1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-5-15(6-2,14(20)21)11-13(19)17-12-16(18(3)4)9-7-8-10-16/h5-12H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyZIUSGZAJGMPXEH-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid
CID 115358209
5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933876
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid
CID 83121021
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 83113825
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
2,2-diethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-4-oxobutanoic acid
CID 65116591
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
CID 83109897
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid (CID 83107807) is 4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)NCC1(N(C)C)CCCC1)C(=O)O.
What is the InChIKey of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is ZIUSGZAJGMPXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-15(6-2,14(20)21)11-13(19)17-12-16(18(3)4)9-7-8-10-16/h5-12H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid?
4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 83107807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).