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

C13H23N3O4 — CID 61478888

IUPAC4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCNC(=O)C(C)NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-3-14-11(17)8(2)15-13(20)16-10-6-4-9(5-7-10)12(18)19/h8-10H,3-7H2,1-2H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyFHJVBHNIKYGUOV-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.45
Rot. Bonds5

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

4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 61478888) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID61478888
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCNC(=O)C(C)NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-3-14-11(17)8(2)15-13(20)16-10-6-4-9(5-7-10)12(18)19/h8-10H,3-7H2,1-2H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyFHJVBHNIKYGUOV-UHFFFAOYSA-N
XLogP0.45
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465769
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 61478723
4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61198859
2-(cyclohexylcarbamoylamino)-N-propylpropanamide
CID 47112302
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79531735
4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122005026
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173004
4-[(1,1-difluoro-2-hydroxypentan-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024657

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 61478888) is 4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid is CCNC(=O)C(C)NC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FHJVBHNIKYGUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-14-11(17)8(2)15-13(20)16-10-6-4-9(5-7-10)12(18)19/h8-10H,3-7H2,1-2H3,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61478888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).