4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

C25H34N8O4 — CID 155006292

About 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 155006292) has the molecular formula C25H34N8O4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
• PubChem CID: 155006292
• Molecular Formula: C25H34N8O4
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.27
• IUPAC Name: 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
• SMILES: NCC1C2CN(Cc3ccc(-n4ccc(NC(=O)N5CCN(C(=O)C(N)CO)CC5)nc4=O)cc3)C[C@@H]12
• InChI: InChI=1S/C25H34N8O4/c26-11-18-19-13-30(14-20(18)19)12-16-1-3-17(4-2-16)33-6-5-22(29-25(33)37)28-24(36)32-9-7-31(8-10-32)23(35)21(27)15-34/h1-6,18-21,34H,7-15,26-27H2,(H,28,29,36,37)/t18?,19-,20?,21?/m0/s1
• InChIKey: PIKKRPHYMJVXKG-SAOGTBAESA-N
• XLogP: -1.14
• TPSA: 163.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	-1.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The IUPAC name of 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (CID 155006292) is 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

What is the SMILES notation for 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The canonical SMILES for 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is NCC1C2CN(Cc3ccc(-n4ccc(NC(=O)N5CCN(C(=O)C(N)CO)CC5)nc4=O)cc3)C[C@@H]12.

What is the InChIKey of 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The InChIKey is PIKKRPHYMJVXKG-SAOGTBAESA-N. The full InChI is InChI=1S/C25H34N8O4/c26-11-18-19-13-30(14-20(18)19)12-16-1-3-17(4-2-16)33-6-5-22(29-25(33)37)28-24(36)32-9-7-31(8-10-32)23(35)21(27)15-34/h1-6,18-21,34H,7-15,26-27H2,(H,28,29,36,37)/t18?,19-,20?,21?/m0/s1.

What are the key properties of 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 510.60 g/mol, XLogP of -1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 155006292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).