trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

C14H16FNO4 — CID 124572084

IUPACtrans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)O)ccc1F
InChIInChI=1S/C14H16FNO4/c1-20-12-7-8(5-6-10(12)15)13(17)16-11-4-2-3-9(11)14(18)19/h5-7,9,11H,2-4H2,1H3,(H,16,17)(H,18,19)/t9-,11-/m0/s1
InChIKeyYQVTXGXLZQQLOI-ONGXEEELSA-N
MW281.28 g/mol
LogP1.82
Rot. Bonds4

About trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 124572084) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID124572084
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Nametrans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)O)ccc1F
InChIInChI=1S/C14H16FNO4/c1-20-12-7-8(5-6-10(12)15)13(17)16-11-4-2-3-9(11)14(18)19/h5-7,9,11H,2-4H2,1H3,(H,16,17)(H,18,19)/t9-,11-/m0/s1
InChIKeyYQVTXGXLZQQLOI-ONGXEEELSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
CID 106366287
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
CID 76978535
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
cis-(1R,2S)-2-[(3-methoxy-4-nitrobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 97234210
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
2-[(3-chloro-4-fluorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82872618
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
2-[(3-fluoro-4-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813719
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 124572084) is trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is COc1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)O)ccc1F.
What is the InChIKey of trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is YQVTXGXLZQQLOI-ONGXEEELSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-12-7-8(5-6-10(12)15)13(17)16-11-4-2-3-9(11)14(18)19/h5-7,9,11H,2-4H2,1H3,(H,16,17)(H,18,19)/t9-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 124572084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).