2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid

C10H16F3NO2 — CID 103237762

IUPAC2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(CNCC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)8(9(15)16)6-14-5-7-3-1-2-4-7/h7-8,14H,1-6H2,(H,15,16)
InChIKeyWBRWDBKDQQOKQB-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.03
Rot. Bonds5

About 2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid

2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 103237762) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid
PubChem CID103237762
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(CNCC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)8(9(15)16)6-14-5-7-3-1-2-4-7/h7-8,14H,1-6H2,(H,15,16)
InChIKeyWBRWDBKDQQOKQB-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid (CID 103237762) is 2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid is O=C(O)C(CNCC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is WBRWDBKDQQOKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)8(9(15)16)6-14-5-7-3-1-2-4-7/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid?
2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 239.24 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylmethylamino)methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 103237762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).