(1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

C24H32N6O5 — CID 170166735

About (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 170166735) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

• Compound Name: (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
• PubChem CID: 170166735
• Molecular Formula: C24H32N6O5
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.24
• IUPAC Name: (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
• SMILES: CC1(C)[C@@H]2[C@@H](C(=O)NC(C[C@@H]3CCNC3=O)C(N)=O)N(C(=O)CNC(=O)Nc3ccccc3)C[C@@H]21
• InChI: InChI=1S/C24H32N6O5/c1-24(2)15-12-30(17(31)11-27-23(35)28-14-6-4-3-5-7-14)19(18(15)24)22(34)29-16(20(25)32)10-13-8-9-26-21(13)33/h3-7,13,15-16,18-19H,8-12H2,1-2H3,(H2,25,32)(H,26,33)(H,29,34)(H2,27,28,35)/t13-,15-,16?,18-,19-/m0/s1
• InChIKey: KLHREZSCYRSGOQ-VAUXGXRHSA-N
• XLogP: -0.21
• TPSA: 162.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	-0.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The IUPAC name of (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 170166735) is (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.

What is the SMILES notation for (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The canonical SMILES for (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is CC1(C)[C@@H]2[C@@H](C(=O)NC(C[C@@H]3CCNC3=O)C(N)=O)N(C(=O)CNC(=O)Nc3ccccc3)C[C@@H]21.

What is the InChIKey of (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The InChIKey is KLHREZSCYRSGOQ-VAUXGXRHSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-24(2)15-12-30(17(31)11-27-23(35)28-14-6-4-3-5-7-14)19(18(15)24)22(34)29-16(20(25)32)10-13-8-9-26-21(13)33/h3-7,13,15-16,18-19H,8-12H2,1-2H3,(H2,25,32)(H,26,33)(H,29,34)(H2,27,28,35)/t13-,15-,16?,18-,19-/m0/s1.

What are the key properties of (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?

(1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of -0.21, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,5S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-[2-(phenylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 170166735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).