1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid

C16H25NO6 — CID 24798407

IUPAC1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid
SMILESCC(C)C(OC(=O)NC1(C(=O)O)CC1)OC(=O)C1CCCCC1
InChIInChI=1S/C16H25NO6/c1-10(2)13(22-12(18)11-6-4-3-5-7-11)23-15(21)17-16(8-9-16)14(19)20/h10-11,13H,3-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyHMLDBQDJLQIXAP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.44
Rot. Bonds6

About 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid

1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid (PubChem CID 24798407) has the molecular formula C16H25NO6 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid
PubChem CID24798407
Molecular FormulaC16H25NO6
Molecular Weight327.38 g/mol
Exact Mass327.17
IUPAC Name1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid
SMILESCC(C)C(OC(=O)NC1(C(=O)O)CC1)OC(=O)C1CCCCC1
InChIInChI=1S/C16H25NO6/c1-10(2)13(22-12(18)11-6-4-3-5-7-11)23-15(21)17-16(8-9-16)14(19)20/h10-11,13H,3-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyHMLDBQDJLQIXAP-UHFFFAOYSA-N
XLogP2.44
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-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

[1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate
CID 68568677
sodium;[1-[[1-(4-chlorophenoxy)-1-oxobutan-2-yl]carbamoyloxy]-2-methylpropyl] cyclohexanecarboxylate;hydride
CID 173194013
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 119132497
1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid
CID 115910126
1-cyanoethyl cyclopentanecarboxylate
CID 83695105
[(1S)-1-acetyloxyethyl] cyclohexanecarboxylate
CID 70191604
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 8020130
1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43341471
1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 122129367
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid (CID 24798407) is 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid is CC(C)C(OC(=O)NC1(C(=O)O)CC1)OC(=O)C1CCCCC1.
What is the InChIKey of 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid?
The InChIKey is HMLDBQDJLQIXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO6/c1-10(2)13(22-12(18)11-6-4-3-5-7-11)23-15(21)17-16(8-9-16)14(19)20/h10-11,13H,3-9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid?
1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 24798407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).