(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid

C14H18N2O4S — CID 79035340

IUPAC(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CCCC[C@@H]1C(=O)O)c1ccsc1
InChIInChI=1S/C14H18N2O4S/c17-12(16-7-2-1-3-11(16)14(19)20)4-6-15-13(18)10-5-8-21-9-10/h5,8-9,11H,1-4,6-7H2,(H,15,18)(H,19,20)/t11-/m1/s1
InChIKeyJBJOMPIKCYNXKE-LLVKDONJSA-N
MW310.38 g/mol
LogP1.33
Rot. Bonds5

About (2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid

(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid (PubChem CID 79035340) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
PubChem CID79035340
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CCCC[C@@H]1C(=O)O)c1ccsc1
InChIInChI=1S/C14H18N2O4S/c17-12(16-7-2-1-3-11(16)14(19)20)4-6-15-13(18)10-5-8-21-9-10/h5,8-9,11H,1-4,6-7H2,(H,15,18)(H,19,20)/t11-/m1/s1
InChIKeyJBJOMPIKCYNXKE-LLVKDONJSA-N
XLogP1.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
N-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 43421341
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119468600
N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 79028955
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
(2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 64712990
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 120578831
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 75518225
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119651026
N-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 102738090
1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356395

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid (CID 79035340) is (2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid is O=C(NCCC(=O)N1CCCC[C@@H]1C(=O)O)c1ccsc1.
What is the InChIKey of (2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is JBJOMPIKCYNXKE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-12(16-7-2-1-3-11(16)14(19)20)4-6-15-13(18)10-5-8-21-9-10/h5,8-9,11H,1-4,6-7H2,(H,15,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79035340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).