(3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide

C20H29N3O2 — CID 100837155

About (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide

(3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 100837155) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide
• PubChem CID: 100837155
• Molecular Formula: C20H29N3O2
• Molecular Weight: 343.47 g/mol
• Exact Mass: 343.23
• IUPAC Name: (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide
• SMILES: C[C@H](NC(=O)[C@@H](C)N1CC[C@@H](C(N)=O)C1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C20H29N3O2/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)22-20(25)14(2)23-10-9-18(12-23)19(21)24/h7-8,11,13-14,18H,3-6,9-10,12H2,1-2H3,(H2,21,24)(H,22,25)/t13-,14+,18+/m0/s1
• InChIKey: HUJQRPMXESXWIQ-PMUMKWKESA-N
• XLogP: 1.94
• TPSA: 75.43 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	343.47
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide (CID 100837155) is (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide is C[C@H](NC(=O)[C@@H](C)N1CC[C@@H](C(N)=O)C1)c1ccc2c(c1)CCCC2.

What is the InChIKey of (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide?

The InChIKey is HUJQRPMXESXWIQ-PMUMKWKESA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)22-20(25)14(2)23-10-9-18(12-23)19(21)24/h7-8,11,13-14,18H,3-6,9-10,12H2,1-2H3,(H2,21,24)(H,22,25)/t13-,14+,18+/m0/s1.

What are the key properties of (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide?

(3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 100837155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).