2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid

C10H12ClNO3 — CID 83840318

IUPAC2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid
SMILESNC(C(=O)O)c1cc(Cl)c(C2CCC2)o1
InChIInChI=1S/C10H12ClNO3/c11-6-4-7(8(12)10(13)14)15-9(6)5-2-1-3-5/h4-5,8H,1-3,12H2,(H,13,14)
InChIKeyHFQQYZGNIFIVSO-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid

2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid (PubChem CID 83840318) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid
PubChem CID83840318
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid
SMILESNC(C(=O)O)c1cc(Cl)c(C2CCC2)o1
InChIInChI=1S/C10H12ClNO3/c11-6-4-7(8(12)10(13)14)15-9(6)5-2-1-3-5/h4-5,8H,1-3,12H2,(H,13,14)
InChIKeyHFQQYZGNIFIVSO-UHFFFAOYSA-N
XLogP2.28
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid (CID 83840318) is 2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid is NC(C(=O)O)c1cc(Cl)c(C2CCC2)o1.
What is the InChIKey of 2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid?
The InChIKey is HFQQYZGNIFIVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c11-6-4-7(8(12)10(13)14)15-9(6)5-2-1-3-5/h4-5,8H,1-3,12H2,(H,13,14).
What are the key properties of 2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid?
2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid has a molecular weight of 229.66 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chloro-5-cyclobutylfuran-2-yl)acetic acid is sourced from PubChem (CID 83840318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).