(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid

C16H20N2O4S — CID 119244244

IUPAC(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C16H20N2O4S/c1-11(16(21)22)17-15(20)12-6-2-3-7-13(12)23-10-14(19)18-8-4-5-9-18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,20)(H,21,22)/t11-/m1/s1
InChIKeyFZBSKMUQRMQMOW-LLVKDONJSA-N
MW336.41 g/mol
LogP1.60
Rot. Bonds6

About (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid

(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid (PubChem CID 119244244) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid
PubChem CID119244244
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C16H20N2O4S/c1-11(16(21)22)17-15(20)12-6-2-3-7-13(12)23-10-14(19)18-8-4-5-9-18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,20)(H,21,22)/t11-/m1/s1
InChIKeyFZBSKMUQRMQMOW-LLVKDONJSA-N
XLogP1.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid with MolForge

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Related Compounds

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-phenylethyl)benzamide
CID 24980996
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
CID 78775763
N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 47100068
2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 43351408
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(2-phenylethyl)benzamide
CID 24817982
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide
CID 112759734
N-[2-(ethylamino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 119507987
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
CID 55892354
N-(2,3-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 8714275
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide
CID 4795071
N-(3-aminopropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide;hydrochloride
CID 119407692
N-(3-methylsulfanylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39754583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid (CID 119244244) is (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid is C[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid?
The InChIKey is FZBSKMUQRMQMOW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11(16(21)22)17-15(20)12-6-2-3-7-13(12)23-10-14(19)18-8-4-5-9-18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,20)(H,21,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid?
(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid has a molecular weight of 336.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid is sourced from PubChem (CID 119244244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).