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

C10H18FNO2 — CID 105455445

IUPAC3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)NCC1(F)CCC(C(=O)O)C1
InChIInChI=1S/C10H18FNO2/c1-7(2)12-6-10(11)4-3-8(5-10)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyZFLIPDPZNZEPDX-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.58
Rot. Bonds4

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

3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 105455445) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID105455445
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)NCC1(F)CCC(C(=O)O)C1
InChIInChI=1S/C10H18FNO2/c1-7(2)12-6-10(11)4-3-8(5-10)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyZFLIPDPZNZEPDX-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid
CID 105471452
trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid
CID 166287159
4-hydroxy-4-[(3-methylbutan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106498919
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499264
4-[[1-(dimethylamino)propan-2-ylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499668
3-(bromomethyl)-3-fluorocyclobutane-1-carboxylic acid
CID 131024071
cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid
CID 166287988
trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
4-hydroxy-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499295
3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid
CID 105484350
trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride
CID 138991198
2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid
CID 126845424

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid (CID 105455445) is 3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid is CC(C)NCC1(F)CCC(C(=O)O)C1.
What is the InChIKey of 3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZFLIPDPZNZEPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-7(2)12-6-10(11)4-3-8(5-10)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid?
3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 105455445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).