oxalic acid;3-phenylcyclopentan-1-amine

C13H17NO4 — CID 174215103

IUPACoxalic acid;3-phenylcyclopentan-1-amine
SMILESNC1CCC(c2ccccc2)C1.O=C(O)C(=O)O
InChIInChI=1S/C11H15N.C2H2O4/c12-11-7-6-10(8-11)9-4-2-1-3-5-9;3-1(4)2(5)6/h1-5,10-11H,6-8,12H2;(H,3,4)(H,5,6)
InChIKeyRSHSTMNSCGPOCX-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.44
Rot. Bonds1

About oxalic acid;3-phenylcyclopentan-1-amine

oxalic acid;3-phenylcyclopentan-1-amine (PubChem CID 174215103) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is oxalic acid;3-phenylcyclopentan-1-amine.

Molecular Properties

Compound Nameoxalic acid;3-phenylcyclopentan-1-amine
PubChem CID174215103
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameoxalic acid;3-phenylcyclopentan-1-amine
SMILESNC1CCC(c2ccccc2)C1.O=C(O)C(=O)O
InChIInChI=1S/C11H15N.C2H2O4/c12-11-7-6-10(8-11)9-4-2-1-3-5-9;3-1(4)2(5)6/h1-5,10-11H,6-8,12H2;(H,3,4)(H,5,6)
InChIKeyRSHSTMNSCGPOCX-UHFFFAOYSA-N
XLogP1.44
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;3-phenylcyclopentan-1-amine?
The IUPAC name of oxalic acid;3-phenylcyclopentan-1-amine (CID 174215103) is oxalic acid;3-phenylcyclopentan-1-amine.
What is the SMILES notation for oxalic acid;3-phenylcyclopentan-1-amine?
The canonical SMILES for oxalic acid;3-phenylcyclopentan-1-amine is NC1CCC(c2ccccc2)C1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;3-phenylcyclopentan-1-amine?
The InChIKey is RSHSTMNSCGPOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H2O4/c12-11-7-6-10(8-11)9-4-2-1-3-5-9;3-1(4)2(5)6/h1-5,10-11H,6-8,12H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;3-phenylcyclopentan-1-amine?
oxalic acid;3-phenylcyclopentan-1-amine has a molecular weight of 251.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;3-phenylcyclopentan-1-amine is sourced from PubChem (CID 174215103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).