cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid

C16H20FNO3 — CID 120676154

IUPACcis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c1-16(2,11-4-6-12(17)7-5-11)15(21)18-13-8-3-10(9-13)14(19)20/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,21)(H,19,20)/t10-,13+/m0/s1
InChIKeyQAVRMGYCWOPQNY-GXFFZTMASA-N
MW293.34 g/mol
LogP2.47
Rot. Bonds4

About cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676154) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676154
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Namecis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c1-16(2,11-4-6-12(17)7-5-11)15(21)18-13-8-3-10(9-13)14(19)20/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,21)(H,19,20)/t10-,13+/m0/s1
InChIKeyQAVRMGYCWOPQNY-GXFFZTMASA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678355
2-(4-fluorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119387447
cis-(1S,3R)-3-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120675522
4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119230227
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343
2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide
CID 80555969
N-(4-aminocyclohexyl)-2-methyl-2-phenylpropanamide
CID 43653066
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
cis-(1R,3S)-3-[[3-(4-fluorophenyl)sulfanyl-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678506
3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
CID 53436277
cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 114173491
N-cyclopentyl-2-methyl-2-(4-methylphenyl)propanamide
CID 113198015

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid (CID 120676154) is cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid is CC(C)(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QAVRMGYCWOPQNY-GXFFZTMASA-N. The full InChI is InChI=1S/C16H20FNO3/c1-16(2,11-4-6-12(17)7-5-11)15(21)18-13-8-3-10(9-13)14(19)20/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,21)(H,19,20)/t10-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).