2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid

C15H22N2O3S — CID 61197550

IUPAC2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ccsc1)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-17(9-11-7-8-21-10-11)15(20)16-13(14(18)19)12-5-3-2-4-6-12/h7-8,10,12-13H,2-6,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyJNHJZNYFVFYFCC-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.92
Rot. Bonds5

About 2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid

2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 61197550) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID61197550
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ccsc1)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-17(9-11-7-8-21-10-11)15(20)16-13(14(18)19)12-5-3-2-4-6-12/h7-8,10,12-13H,2-6,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyJNHJZNYFVFYFCC-UHFFFAOYSA-N
XLogP2.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
(2R)-4-hydroxy-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 107826201
(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566204
3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197737
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
2-cyclopropyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]acetic acid
CID 55107585
4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43528496
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide
CID 61123402
3-methoxy-4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 103158614
(2S)-2-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-3-cyclohexylpropanoic acid
CID 156884066
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid (CID 61197550) is 2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid is CN(Cc1ccsc1)C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is JNHJZNYFVFYFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(9-11-7-8-21-10-11)15(20)16-13(14(18)19)12-5-3-2-4-6-12/h7-8,10,12-13H,2-6,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 310.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61197550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).