2-(cyanoamino)cyclopentane-1-carboxylic acid

C7H10N2O2 — CID 164660205

IUPAC2-(cyanoamino)cyclopentane-1-carboxylic acid
SMILESN#CNC1CCCC1C(=O)O
InChIInChI=1S/C7H10N2O2/c8-4-9-6-3-1-2-5(6)7(10)11/h5-6,9H,1-3H2,(H,10,11)
InChIKeyAXKIUCBULJYHSL-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.31
Rot. Bonds2

About 2-(cyanoamino)cyclopentane-1-carboxylic acid

2-(cyanoamino)cyclopentane-1-carboxylic acid (PubChem CID 164660205) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(cyanoamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyanoamino)cyclopentane-1-carboxylic acid
PubChem CID164660205
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(cyanoamino)cyclopentane-1-carboxylic acid
SMILESN#CNC1CCCC1C(=O)O
InChIInChI=1S/C7H10N2O2/c8-4-9-6-3-1-2-5(6)7(10)11/h5-6,9H,1-3H2,(H,10,11)
InChIKeyAXKIUCBULJYHSL-UHFFFAOYSA-N
XLogP0.31
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 84720939
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid
CID 15534342
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817435
(2-hydroxycyclopentyl)cyanamide
CID 130751599
trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
CID 118692709
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 84689581
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594

Frequently Asked Questions

What is the IUPAC name of 2-(cyanoamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(cyanoamino)cyclopentane-1-carboxylic acid (CID 164660205) is 2-(cyanoamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(cyanoamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(cyanoamino)cyclopentane-1-carboxylic acid is N#CNC1CCCC1C(=O)O.
What is the InChIKey of 2-(cyanoamino)cyclopentane-1-carboxylic acid?
The InChIKey is AXKIUCBULJYHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-4-9-6-3-1-2-5(6)7(10)11/h5-6,9H,1-3H2,(H,10,11).
What are the key properties of 2-(cyanoamino)cyclopentane-1-carboxylic acid?
2-(cyanoamino)cyclopentane-1-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanoamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 164660205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).