4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid

C20H32N2O5 — CID 120541675

IUPAC4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C20H32N2O5/c23-17(21-13-20(19(25)26)9-11-27-12-10-20)15-5-7-16(8-6-15)22-18(24)14-3-1-2-4-14/h14-16H,1-13H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyPYQBTTMJCPHDSY-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.85
Rot. Bonds6

About 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid

4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 120541675) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID120541675
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C20H32N2O5/c23-17(21-13-20(19(25)26)9-11-27-12-10-20)15-5-7-16(8-6-15)22-18(24)14-3-1-2-4-14/h14-16H,1-13H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyPYQBTTMJCPHDSY-UHFFFAOYSA-N
XLogP1.85
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
4-[[[4-(aminomethyl)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104963723
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104914473
4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 107175835
4-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120541873
4-[[(1-butanoylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542126
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
4-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541562

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid (CID 120541675) is 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid is O=C(NCC1(C(=O)O)CCOCC1)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is PYQBTTMJCPHDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c23-17(21-13-20(19(25)26)9-11-27-12-10-20)15-5-7-16(8-6-15)22-18(24)14-3-1-2-4-14/h14-16H,1-13H2,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 380.49 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120541675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).