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

C9H14F3NO3 — CID 103262131

IUPAC2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(CNOC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(8(14)15)5-13-16-6-3-1-2-4-6/h6-7,13H,1-5H2,(H,14,15)
InChIKeyWNRQSGRAAONDNQ-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.71
Rot. Bonds5

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

2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 103262131) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid
PubChem CID103262131
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(CNOC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(8(14)15)5-13-16-6-3-1-2-4-6/h6-7,13H,1-5H2,(H,14,15)
InChIKeyWNRQSGRAAONDNQ-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]propanoic acid
CID 106362475
3,3,3-trifluoro-2-[[(4-methylcyclohexyl)methylamino]methyl]propanoic acid
CID 103250453
(2S)-1-(cyclopentyloxyamino)propan-2-ol
CID 106932440
3,3,3-trifluoro-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]propanoic acid
CID 114123668
2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropanoic acid
CID 80997496
N-cyclopentyloxy-2-methylpropan-1-amine
CID 83229850
2-[(3-ethylpentan-3-ylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 103253838
3,3,3-trifluoro-2-[(3-methoxycyclohexyl)oxymethyl]propanoic acid
CID 103372348
1-cyclopentyloxy-3-(cyclopentyloxyamino)propan-2-ol
CID 83228878
3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid
CID 103248597
methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
CID 83235288
3,3,3-trifluoro-2-[[(3-methylcyclopentyl)methylamino]methyl]propanoic acid
CID 107414113

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid (CID 103262131) is 2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid is O=C(O)C(CNOC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is WNRQSGRAAONDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)7(8(14)15)5-13-16-6-3-1-2-4-6/h6-7,13H,1-5H2,(H,14,15).
What are the key properties of 2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid?
2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 241.21 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentyloxyamino)methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 103262131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).