(1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide

C19H33N5O3 — CID 168917392

About (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide

(1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide (PubChem CID 168917392) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide.

Molecular Properties

• Compound Name: (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide
• PubChem CID: 168917392
• Molecular Formula: C19H33N5O3
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.26
• IUPAC Name: (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide
• SMILES: CC[C@H](C)[C@H](N)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NNC[C@@H]1CCNC1=O)C2(C)C
• InChI: InChI=1S/C19H33N5O3/c1-5-10(2)14(20)18(27)24-9-12-13(19(12,3)4)15(24)17(26)23-22-8-11-6-7-21-16(11)25/h10-15,22H,5-9,20H2,1-4H3,(H,21,25)(H,23,26)/t10-,11-,12-,13-,14-,15-/m0/s1
• InChIKey: YASBNDLPSHLZCR-LZXPERKUSA-N
• XLogP: -0.40
• TPSA: 116.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	-0.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide?

The IUPAC name of (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide (CID 168917392) is (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide.

What is the SMILES notation for (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide?

The canonical SMILES for (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide is CC[C@H](C)[C@H](N)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NNC[C@@H]1CCNC1=O)C2(C)C.

What is the InChIKey of (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide?

The InChIKey is YASBNDLPSHLZCR-LZXPERKUSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-5-10(2)14(20)18(27)24-9-12-13(19(12,3)4)15(24)17(26)23-22-8-11-6-7-21-16(11)25/h10-15,22H,5-9,20H2,1-4H3,(H,21,25)(H,23,26)/t10-,11-,12-,13-,14-,15-/m0/s1.

What are the key properties of (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide?

(1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide has a molecular weight of 379.51 g/mol, XLogP of -0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide is sourced from PubChem (CID 168917392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).