2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid

C14H18N2O3S — CID 115285581

IUPAC2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)NC1CC2CCC1C2
InChIInChI=1S/C14H18N2O3S/c17-13(18)12(11-2-1-5-20-11)16-14(19)15-10-7-8-3-4-9(10)6-8/h1-2,5,8-10,12H,3-4,6-7H2,(H,17,18)(H2,15,16,19)
InChIKeyBNUOFBUAYDWUDB-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.36
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid

2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115285581) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid
PubChem CID115285581
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)NC1CC2CCC1C2
InChIInChI=1S/C14H18N2O3S/c17-13(18)12(11-2-1-5-20-11)16-14(19)15-10-7-8-3-4-9(10)6-8/h1-2,5,8-10,12H,3-4,6-7H2,(H,17,18)(H2,15,16,19)
InChIKeyBNUOFBUAYDWUDB-UHFFFAOYSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285564
2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285471
2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 104963495
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
(1S,2R,4S)-N-(dithiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98872731
(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid
CID 78995764
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
CID 11892921
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
2-(oxan-4-ylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285548
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724674
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid (CID 115285581) is 2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid is O=C(NC(C(=O)O)c1cccs1)NC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is BNUOFBUAYDWUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-13(18)12(11-2-1-5-20-11)16-14(19)15-10-7-8-3-4-9(10)6-8/h1-2,5,8-10,12H,3-4,6-7H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid?
2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 294.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).