1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid

C12H16N2O3S — CID 115286846

IUPAC1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
SMILESNC(C(=O)N1CCCC(C(=O)O)C1)c1cccs1
InChIInChI=1S/C12H16N2O3S/c13-10(9-4-2-6-18-9)11(15)14-5-1-3-8(7-14)12(16)17/h2,4,6,8,10H,1,3,5,7,13H2,(H,16,17)
InChIKeyCEJRQONBRKNYGL-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.07
Rot. Bonds3

About 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid

1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid (PubChem CID 115286846) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
PubChem CID115286846
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
SMILESNC(C(=O)N1CCCC(C(=O)O)C1)c1cccs1
InChIInChI=1S/C12H16N2O3S/c13-10(9-4-2-6-18-9)11(15)14-5-1-3-8(7-14)12(16)17/h2,4,6,8,10H,1,3,5,7,13H2,(H,16,17)
InChIKeyCEJRQONBRKNYGL-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone
CID 115287351
1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115286723
1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167123
2-amino-1-(1,4-thiazepan-4-yl)-2-thiophen-2-ylethanone
CID 115287048
3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 115287229
1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide
CID 115286098
1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61455664

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid (CID 115286846) is 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid is NC(C(=O)N1CCCC(C(=O)O)C1)c1cccs1.
What is the InChIKey of 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid?
The InChIKey is CEJRQONBRKNYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c13-10(9-4-2-6-18-9)11(15)14-5-1-3-8(7-14)12(16)17/h2,4,6,8,10H,1,3,5,7,13H2,(H,16,17).
What are the key properties of 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid?
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 115286846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).