4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid

C15H20N2O4 — CID 122016522

IUPAC4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid
SMILESCO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-21-13-4-2-3-12(13)17-15(20)16-9-10-5-7-11(8-6-10)14(18)19/h5-8,12-13H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20)/t12-,13-/m1/s1
InChIKeyQCIIMTSLYYBZSW-CHWSQXEVSA-N
MW292.33 g/mol
LogP1.75
Rot. Bonds5

About 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid

4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid (PubChem CID 122016522) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid
PubChem CID122016522
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid
SMILESCO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-21-13-4-2-3-12(13)17-15(20)16-9-10-5-7-11(8-6-10)14(18)19/h5-8,12-13H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20)/t12-,13-/m1/s1
InChIKeyQCIIMTSLYYBZSW-CHWSQXEVSA-N
XLogP1.75
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid with MolForge

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Related Compounds

4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
CID 62088259
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
4-[[(2-cyclobutyl-2-methylpropyl)carbamoylamino]methyl]benzoic acid
CID 122016415
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532
4-[[(3-tert-butylcyclobutyl)carbamoylamino]methyl]benzoic acid
CID 122015420
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188
4-[[[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 122014707
4-[[[4-(methylsulfanylmethyl)cyclohexyl]carbamoylamino]methyl]benzoic acid
CID 122016114
4-[[[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 122008177
4-[[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]methyl]benzoic acid
CID 108913960
4-[[(2-cyclobutylacetyl)amino]methyl]benzoic acid
CID 113265035
4-[[3-(cyclobutanecarbonylamino)propylcarbamoylamino]methyl]benzoic acid
CID 122020332

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid?
The IUPAC name of 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid (CID 122016522) is 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid is CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid?
The InChIKey is QCIIMTSLYYBZSW-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-4-2-3-12(13)17-15(20)16-9-10-5-7-11(8-6-10)14(18)19/h5-8,12-13H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20)/t12-,13-/m1/s1.
What are the key properties of 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid?
4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid is sourced from PubChem (CID 122016522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).