2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid

C11H17NO3 — CID 64671973

IUPAC2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid
SMILESC=CC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H17NO3/c1-2-9(13)12-11(8-10(14)15)6-4-3-5-7-11/h2H,1,3-8H2,(H,12,13)(H,14,15)
InChIKeyMPRZQOKMYXGPGQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.47
Rot. Bonds4

About 2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid

2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid (PubChem CID 64671973) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid
PubChem CID64671973
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid
SMILESC=CC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H17NO3/c1-2-9(13)12-11(8-10(14)15)6-4-3-5-7-11/h2H,1,3-8H2,(H,12,13)(H,14,15)
InChIKeyMPRZQOKMYXGPGQ-UHFFFAOYSA-N
XLogP1.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid (CID 64671973) is 2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid is C=CC(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid?
The InChIKey is MPRZQOKMYXGPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-9(13)12-11(8-10(14)15)6-4-3-5-7-11/h2H,1,3-8H2,(H,12,13)(H,14,15).
What are the key properties of 2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid?
2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(prop-2-enoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64671973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).