2-(cyclohex-3-ene-1-carbonylamino)acetic acid

C9H13NO3 — CID 24693659

IUPAC2-(cyclohex-3-ene-1-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CC=CCC1
InChIInChI=1S/C9H13NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,10,13)(H,11,12)
InChIKeyCXAOXACBPWNQTR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.54
Rot. Bonds3

About 2-(cyclohex-3-ene-1-carbonylamino)acetic acid

2-(cyclohex-3-ene-1-carbonylamino)acetic acid (PubChem CID 24693659) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(cyclohex-3-ene-1-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(cyclohex-3-ene-1-carbonylamino)acetic acid
PubChem CID24693659
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(cyclohex-3-ene-1-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CC=CCC1
InChIInChI=1S/C9H13NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,10,13)(H,11,12)
InChIKeyCXAOXACBPWNQTR-UHFFFAOYSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-ene-1-carbonylamino)acetic acid?
The IUPAC name of 2-(cyclohex-3-ene-1-carbonylamino)acetic acid (CID 24693659) is 2-(cyclohex-3-ene-1-carbonylamino)acetic acid.
What is the SMILES notation for 2-(cyclohex-3-ene-1-carbonylamino)acetic acid?
The canonical SMILES for 2-(cyclohex-3-ene-1-carbonylamino)acetic acid is O=C(O)CNC(=O)C1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-ene-1-carbonylamino)acetic acid?
The InChIKey is CXAOXACBPWNQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,10,13)(H,11,12).
What are the key properties of 2-(cyclohex-3-ene-1-carbonylamino)acetic acid?
2-(cyclohex-3-ene-1-carbonylamino)acetic acid has a molecular weight of 183.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-ene-1-carbonylamino)acetic acid is sourced from PubChem (CID 24693659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).