4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid

C13H24N2O3 — CID 79531735

IUPAC4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCNC(=O)C(C)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-14-12(16)9(2)15-8-10-4-6-11(7-5-10)13(17)18/h9-11,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyCPMLAOYOWMCQFX-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds6

About 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79531735) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79531735
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCNC(=O)C(C)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-14-12(16)9(2)15-8-10-4-6-11(7-5-10)13(17)18/h9-11,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyCPMLAOYOWMCQFX-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(pentan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532413
4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529802
4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61478888
2-(cyclopentylmethylamino)-N-(ethylcarbamoyl)propanamide
CID 43317222
4-[(1-ethoxypropan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 104964102
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 61478723
2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
CID 116521319
3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105441708
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
4-[(2-propan-2-yloxyethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532230
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
4-[[(4-amino-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 80545198

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79531735) is 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid is CCNC(=O)C(C)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is CPMLAOYOWMCQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-14-12(16)9(2)15-8-10-4-6-11(7-5-10)13(17)18/h9-11,15H,3-8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79531735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).