2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid

C13H18N2O4S — CID 115285471

IUPAC2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCOC1CCCC1NC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O4S/c1-19-9-5-2-4-8(9)14-13(18)15-11(12(16)17)10-6-3-7-20-10/h3,6-9,11H,2,4-5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyMUTSAHIBBZUTNR-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.74
Rot. Bonds5

About 2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid

2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid (PubChem CID 115285471) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid
PubChem CID115285471
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCOC1CCCC1NC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O4S/c1-19-9-5-2-4-8(9)14-13(18)15-11(12(16)17)10-6-3-7-20-10/h3,6-9,11H,2,4-5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyMUTSAHIBBZUTNR-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285564
2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 104963495
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285581
N-(2-methoxycyclopentyl)thiophene-2-carboxamide
CID 64592899
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285619
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278881
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
CID 107566778
(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 55033421
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid (CID 115285471) is 2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid is COC1CCCC1NC(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is MUTSAHIBBZUTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-9-5-2-4-8(9)14-13(18)15-11(12(16)17)10-6-3-7-20-10/h3,6-9,11H,2,4-5H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 298.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).