trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C19H24N2O4 — CID 124858174

About trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 124858174) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
• PubChem CID: 124858174
• Molecular Formula: C19H24N2O4
• Molecular Weight: 344.41 g/mol
• Exact Mass: 344.17
• IUPAC Name: trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
• SMILES: C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@H]2CCC[C@@H]2C(=O)O)CC1=O
• InChI: InChI=1S/C19H24N2O4/c1-12(13-6-3-2-4-7-13)21-11-14(10-17(21)22)18(23)20-16-9-5-8-15(16)19(24)25/h2-4,6-7,12,14-16H,5,8-11H2,1H3,(H,20,23)(H,24,25)/t12-,14-,15+,16+/m1/s1
• InChIKey: MDOLXFLQASLQLS-OJLVUWQFSA-N
• XLogP: 1.97
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.41
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The IUPAC name of trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 124858174) is trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@H]2CCC[C@@H]2C(=O)O)CC1=O.

What is the InChIKey of trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The InChIKey is MDOLXFLQASLQLS-OJLVUWQFSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(13-6-3-2-4-7-13)21-11-14(10-17(21)22)18(23)20-16-9-5-8-15(16)19(24)25/h2-4,6-7,12,14-16H,5,8-11H2,1H3,(H,20,23)(H,24,25)/t12-,14-,15+,16+/m1/s1.

What are the key properties of trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 124858174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).