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

C15H19NO4 — CID 120676087

IUPACcis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCc1ccccc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-20-9-11-4-2-3-5-13(11)14(17)16-12-7-6-10(8-12)15(18)19/h2-5,10,12H,6-9H2,1H3,(H,16,17)(H,18,19)/t10-,12+/m0/s1
InChIKeyQSTHUKZBPOYREM-CMPLNLGQSA-N
MW277.32 g/mol
LogP1.82
Rot. Bonds5

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

cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676087) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676087
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namecis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCc1ccccc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-20-9-11-4-2-3-5-13(11)14(17)16-12-7-6-10(8-12)15(18)19/h2-5,10,12H,6-9H2,1H3,(H,16,17)(H,18,19)/t10-,12+/m0/s1
InChIKeyQSTHUKZBPOYREM-CMPLNLGQSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(Octylcarbamoyl)benzoic acid
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CID 11097895
N-[(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butyl]-phthalamic acid
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CID 5271086
2-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic Acid
CID 3354762
2-[(4-Methylcyclohexyl)carbamoyl]benzoic acid
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CID 3468714

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 120676087) is cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is COCc1ccccc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QSTHUKZBPOYREM-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-9-11-4-2-3-5-13(11)14(17)16-12-7-6-10(8-12)15(18)19/h2-5,10,12H,6-9H2,1H3,(H,16,17)(H,18,19)/t10-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).