3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid

C11H20FNO2 — CID 105471452

IUPAC3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CNCC1(F)CCC(C(=O)O)C1
InChIInChI=1S/C11H20FNO2/c1-8(2)6-13-7-11(12)4-3-9(5-11)10(14)15/h8-9,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyJVKBWAXYEPORJH-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.83
Rot. Bonds5

About 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid

3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 105471452) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID105471452
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CNCC1(F)CCC(C(=O)O)C1
InChIInChI=1S/C11H20FNO2/c1-8(2)6-13-7-11(12)4-3-9(5-11)10(14)15/h8-9,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyJVKBWAXYEPORJH-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105455445
3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentan-1-amine
CID 105443345
trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid
CID 166287159
N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine
CID 126847938
4-hydroxy-4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 106499741
4-hydroxy-4-[(3-methylbutan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106498919
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
3-(bromomethyl)-3-fluorocyclobutane-1-carboxylic acid
CID 131024071
1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
CID 105077543
1-[(2-methylpropylamino)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62773562
cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid
CID 166287988
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499264

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid (CID 105471452) is 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid is CC(C)CNCC1(F)CCC(C(=O)O)C1.
What is the InChIKey of 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JVKBWAXYEPORJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-8(2)6-13-7-11(12)4-3-9(5-11)10(14)15/h8-9,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid?
3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 217.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 105471452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).