(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid

C14H16N2O3S — CID 124610210

IUPAC(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)c1cccn1Cc1cccs1)C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-2-11(14(18)19)15-13(17)12-6-3-7-16(12)9-10-5-4-8-20-10/h3-8,11H,2,9H2,1H3,(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeyXMUAQKCJYKUXSZ-LLVKDONJSA-N
MW292.36 g/mol
LogP2.19
Rot. Bonds6

About (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid

(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid (PubChem CID 124610210) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
PubChem CID124610210
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)c1cccn1Cc1cccs1)C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-2-11(14(18)19)15-13(17)12-6-3-7-16(12)9-10-5-4-8-20-10/h3-8,11H,2,9H2,1H3,(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeyXMUAQKCJYKUXSZ-LLVKDONJSA-N
XLogP2.19
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

(E)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]hex-4-enoic acid
CID 120693316
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104939949
N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119668727
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 97194203
N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119643874
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469589
N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119617728
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119499620
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55982773
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid?
The IUPAC name of (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid (CID 124610210) is (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid?
The canonical SMILES for (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid is CC[C@@H](NC(=O)c1cccn1Cc1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid?
The InChIKey is XMUAQKCJYKUXSZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-11(14(18)19)15-13(17)12-6-3-7-16(12)9-10-5-4-8-20-10/h3-8,11H,2,9H2,1H3,(H,15,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid?
(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid has a molecular weight of 292.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 124610210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).