(2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid

C15H22N2O5S2 — CID 119363680

IUPAC(2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCCN1S(=O)(=O)c1cccs1)C(=O)O
InChIInChI=1S/C15H22N2O5S2/c1-10(2)9-11(15(19)20)16-14(18)12-5-3-7-17(12)24(21,22)13-6-4-8-23-13/h4,6,8,10-12H,3,5,7,9H2,1-2H3,(H,16,18)(H,19,20)/t11-,12?/m1/s1
InChIKeyNMVDJQBWOHXORU-JHJMLUEUSA-N
MW374.48 g/mol
LogP1.52
Rot. Bonds7

About (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid (PubChem CID 119363680) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid
PubChem CID119363680
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name(2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCCN1S(=O)(=O)c1cccs1)C(=O)O
InChIInChI=1S/C15H22N2O5S2/c1-10(2)9-11(15(19)20)16-14(18)12-5-3-7-17(12)24(21,22)13-6-4-8-23-13/h4,6,8,10-12H,3,5,7,9H2,1-2H3,(H,16,18)(H,19,20)/t11-,12?/m1/s1
InChIKeyNMVDJQBWOHXORU-JHJMLUEUSA-N
XLogP1.52
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 119364822
2-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 108789752
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119665150
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
(2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 101140521
(3S)-N-[(1S)-3-methyl-1-phenylbutyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94012606

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid (CID 119363680) is (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)C1CCCN1S(=O)(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid?
The InChIKey is NMVDJQBWOHXORU-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-10(2)9-11(15(19)20)16-14(18)12-5-3-7-17(12)24(21,22)13-6-4-8-23-13/h4,6,8,10-12H,3,5,7,9H2,1-2H3,(H,16,18)(H,19,20)/t11-,12?/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid has a molecular weight of 374.48 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119363680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).