2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen

C32H69N23O12 — CID 167680747

About 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen

2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen (PubChem CID 167680747) has the molecular formula C32H69N23O12 and a molecular weight of 968.05 g/mol. Its IUPAC name is 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen.

Molecular Properties

• Compound Name: 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen
• PubChem CID: 167680747
• Molecular Formula: C32H69N23O12
• Molecular Weight: 968.05 g/mol
• Exact Mass: 967.55
• IUPAC Name: 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen
• SMILES: CC(C)(C)OC(=O)N(CC(=O)NCCN=[N+]=[N-])CC(=O)NCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O.[H][H].[H][H].[H][H].[H][H].[H][H].[N-]=[N+]=NCCN.[N-]=[N+]=NCCNC(=O)CNCC(=O)NCCN=[N+]=[N-]
• InChI: InChI=1S/C13H23N9O4.C9H15NO6.C8H15N9O2.C2H6N4.5H2/c1-13(2,3)26-12(25)22(8-10(23)16-4-6-18-20-14)9-11(24)17-5-7-19-21-15;1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14;9-16-14-3-1-12-7(18)5-11-6-8(19)13-2-4-15-17-10;3-1-2-5-6-4;;;;;/h4-9H2,1-3H3,(H,16,23)(H,17,24);4-5H2,1-3H3,(H,11,12)(H,13,14);11H,1-6H2,(H,12,18)(H,13,19);1-3H2;5*1H
• InChIKey: VMUALVQACTYSIP-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 531.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	968.05
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen?

The IUPAC name of 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen (CID 167680747) is 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen.

What is the SMILES notation for 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen?

The canonical SMILES for 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen is CC(C)(C)OC(=O)N(CC(=O)NCCN=[N+]=[N-])CC(=O)NCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O.[H][H].[H][H].[H][H].[H][H].[H][H].[N-]=[N+]=NCCN.[N-]=[N+]=NCCNC(=O)CNCC(=O)NCCN=[N+]=[N-].

What is the InChIKey of 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen?

The InChIKey is VMUALVQACTYSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N9O4.C9H15NO6.C8H15N9O2.C2H6N4.5H2/c1-13(2,3)26-12(25)22(8-10(23)16-4-6-18-20-14)9-11(24)17-5-7-19-21-15;1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14;9-16-14-3-1-12-7(18)5-11-6-8(19)13-2-4-15-17-10;3-1-2-5-6-4;;;;;/h4-9H2,1-3H3,(H,16,23)(H,17,24);4-5H2,1-3H3,(H,11,12)(H,13,14);11H,1-6H2,(H,12,18)(H,13,19);1-3H2;5*1H.

What are the key properties of 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen?

2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen has a molecular weight of 968.05 g/mol, XLogP of 2.38, 26 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen is sourced from PubChem (CID 167680747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).