4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

C15H28N2O4 — CID 106499719

IUPAC4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NCC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-4-17(5-2)13(18)11(3)16-10-15(21)8-6-12(7-9-15)14(19)20/h11-12,16,21H,4-10H2,1-3H3,(H,19,20)
InChIKeyUTSBQRUHKAKLMY-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.84
Rot. Bonds7

About 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106499719) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106499719
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NCC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-4-17(5-2)13(18)11(3)16-10-15(21)8-6-12(7-9-15)14(19)20/h11-12,16,21H,4-10H2,1-3H3,(H,19,20)
InChIKeyUTSBQRUHKAKLMY-UHFFFAOYSA-N
XLogP0.84
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-hydroxy-4-[(3-methylbutan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106498919
4-[[1-(dimethylamino)propan-2-ylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499668
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499264
N,N-diethyl-2-[(1-ethylcyclopentyl)methylamino]propanamide
CID 113257443
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N,N-dimethylpropanamide
CID 65118585
4-hydroxy-4-[(4-methoxybutan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499519
4-hydroxy-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499295
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400
N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]-N-methylpropanamide
CID 103108861
4-hydroxy-4-(propylaminomethyl)cyclohexane-1-carboxylic acid
CID 105468801
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 63044247
3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550244

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106499719) is 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is CCN(CC)C(=O)C(C)NCC1(O)CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is UTSBQRUHKAKLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-17(5-2)13(18)11(3)16-10-15(21)8-6-12(7-9-15)14(19)20/h11-12,16,21H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106499719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).