cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid

C15H17FN2O4 — CID 120678933

IUPACcis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CNC(=O)c1cccc(F)c1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H17FN2O4/c16-11-3-1-2-9(6-11)14(20)17-8-13(19)18-12-5-4-10(7-12)15(21)22/h1-3,6,10,12H,4-5,7-8H2,(H,17,20)(H,18,19)(H,21,22)/t10-,12+/m1/s1
InChIKeyLXPHZNGXSGMONK-PWSUYJOCSA-N
MW308.31 g/mol
LogP0.93
Rot. Bonds5

About cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678933) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678933
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Namecis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CNC(=O)c1cccc(F)c1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H17FN2O4/c16-11-3-1-2-9(6-11)14(20)17-8-13(19)18-12-5-4-10(7-12)15(21)22/h1-3,6,10,12H,4-5,7-8H2,(H,17,20)(H,18,19)(H,21,22)/t10-,12+/m1/s1
InChIKeyLXPHZNGXSGMONK-PWSUYJOCSA-N
XLogP0.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678706
cis-(1S,3R)-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675967
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
CID 120515000
3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide
CID 146127558
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676600
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 43568522
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid (CID 120678933) is cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CNC(=O)c1cccc(F)c1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LXPHZNGXSGMONK-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H17FN2O4/c16-11-3-1-2-9(6-11)14(20)17-8-13(19)18-12-5-4-10(7-12)15(21)22/h1-3,6,10,12H,4-5,7-8H2,(H,17,20)(H,18,19)(H,21,22)/t10-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 308.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).