(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid

C14H18N2O4S — CID 79035200

IUPAC(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
SMILESCC(NC(=O)c1cccs1)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C14H18N2O4S/c1-9(15-12(17)11-6-4-8-21-11)13(18)16-7-3-2-5-10(16)14(19)20/h4,6,8-10H,2-3,5,7H2,1H3,(H,15,17)(H,19,20)/t9?,10-/m1/s1
InChIKeyPQTXABDYXKAUAK-QVDQXJPCSA-N
MW310.38 g/mol
LogP1.33
Rot. Bonds4

About (2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid

(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid (PubChem CID 79035200) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
PubChem CID79035200
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
SMILESCC(NC(=O)c1cccs1)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C14H18N2O4S/c1-9(15-12(17)11-6-4-8-21-11)13(18)16-7-3-2-5-10(16)14(19)20/h4,6,8-10H,2-3,5,7H2,1H3,(H,15,17)(H,19,20)/t9?,10-/m1/s1
InChIKeyPQTXABDYXKAUAK-QVDQXJPCSA-N
XLogP1.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 93039678
1-[2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 102559913
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464
(2R)-1-[(2S)-2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 99639632
2-methyl-1-[2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372062
(4R)-3-[2-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143308
(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119372200
(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid (CID 79035200) is (2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid is CC(NC(=O)c1cccs1)C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is PQTXABDYXKAUAK-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-9(15-12(17)11-6-4-8-21-11)13(18)16-7-3-2-5-10(16)14(19)20/h4,6,8-10H,2-3,5,7H2,1H3,(H,15,17)(H,19,20)/t9?,10-/m1/s1.
What are the key properties of (2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79035200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).