(2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid

C18H24N2O4S — CID 97281771

IUPAC(2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid
SMILESCN(C(=O)C1CCN(C(=O)C2CCC2)CC1)[C@@H](C(=O)O)c1cccs1
InChIInChI=1S/C18H24N2O4S/c1-19(15(18(23)24)14-6-3-11-25-14)16(21)13-7-9-20(10-8-13)17(22)12-4-2-5-12/h3,6,11-13,15H,2,4-5,7-10H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyWHGBZPOWPIEHNB-OAHLLOKOSA-N
MW364.47 g/mol
LogP2.37
Rot. Bonds5

About (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid

(2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid (PubChem CID 97281771) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid
PubChem CID97281771
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid
SMILESCN(C(=O)C1CCN(C(=O)C2CCC2)CC1)[C@@H](C(=O)O)c1cccs1
InChIInChI=1S/C18H24N2O4S/c1-19(15(18(23)24)14-6-3-11-25-14)16(21)13-7-9-20(10-8-13)17(22)12-4-2-5-12/h3,6,11-13,15H,2,4-5,7-10H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyWHGBZPOWPIEHNB-OAHLLOKOSA-N
XLogP2.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid with MolForge

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Related Compounds

[1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394397
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 97112090
N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 54873202
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
1-[methyl(1-thiophen-2-ylethyl)carbamoyl]azepane-2-carboxylic acid
CID 64561952
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55862816
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
CID 110663593
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid (CID 97281771) is (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid is CN(C(=O)C1CCN(C(=O)C2CCC2)CC1)[C@@H](C(=O)O)c1cccs1.
What is the InChIKey of (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is WHGBZPOWPIEHNB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-19(15(18(23)24)14-6-3-11-25-14)16(21)13-7-9-20(10-8-13)17(22)12-4-2-5-12/h3,6,11-13,15H,2,4-5,7-10H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid?
(2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 364.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 97281771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).