4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid

C12H20N2O4 — CID 113280324

IUPAC4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid
SMILESNC1CCC(C(=O)NC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C12H20N2O4/c13-9-2-1-8(7-9)10(15)14-12(11(16)17)3-5-18-6-4-12/h8-9H,1-7,13H2,(H,14,15)(H,16,17)
InChIKeyHDBUTKYHMCUMIO-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.14
Rot. Bonds3

About 4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid

4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid (PubChem CID 113280324) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid
PubChem CID113280324
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid
SMILESNC1CCC(C(=O)NC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C12H20N2O4/c13-9-2-1-8(7-9)10(15)14-12(11(16)17)3-5-18-6-4-12/h8-9H,1-7,13H2,(H,14,15)(H,16,17)
InChIKeyHDBUTKYHMCUMIO-UHFFFAOYSA-N
XLogP-0.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452828
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
1-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119735680
4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid
CID 115292352
4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide
CID 113491088
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697
4-[(5-methyloxolane-2-carbonyl)amino]oxane-4-carboxylic acid
CID 113280119
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
4-hydrazinyloxane-4-carboxylic acid
CID 154814519
3-aminocyclopentane-1-carbohydrazide
CID 66010273
N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119669367

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid (CID 113280324) is 4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid is NC1CCC(C(=O)NC2(C(=O)O)CCOCC2)C1.
What is the InChIKey of 4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid?
The InChIKey is HDBUTKYHMCUMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-9-2-1-8(7-9)10(15)14-12(11(16)17)3-5-18-6-4-12/h8-9H,1-7,13H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid?
4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 113280324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).