2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid

C27H36N6O10 — CID 175143885

About 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid

2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid (PubChem CID 175143885) has the molecular formula C27H36N6O10 and a molecular weight of 604.62 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid
• PubChem CID: 175143885
• Molecular Formula: C27H36N6O10
• Molecular Weight: 604.62 g/mol
• Exact Mass: 604.25
• IUPAC Name: 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid
• SMILES: NC(N)=NCCCC(N)C(=O)O.NCC(=O)O.O=C(O)CC(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O
• InChI: InChI=1S/C19H17NO6.C6H14N4O2.C2H5NO2/c21-17(22)9-16(18(23)24)20-19(25)26-10-12-5-3-7-14-13-6-2-1-4-11(13)8-15(12)14;7-4(5(11)12)2-1-3-10-6(8)9;3-1-2(4)5/h1-7,16H,8-10H2,(H,20,25)(H,21,22)(H,23,24);4H,1-3,7H2,(H,11,12)(H4,8,9,10);1,3H2,(H,4,5)
• InChIKey: BZOKYBQXFDTULZ-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 303.97 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.62
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid?

The IUPAC name of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid (CID 175143885) is 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid.

What is the SMILES notation for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid?

The canonical SMILES for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid is NC(N)=NCCCC(N)C(=O)O.NCC(=O)O.O=C(O)CC(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O.

What is the InChIKey of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid?

The InChIKey is BZOKYBQXFDTULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6.C6H14N4O2.C2H5NO2/c21-17(22)9-16(18(23)24)20-19(25)26-10-12-5-3-7-14-13-6-2-1-4-11(13)8-15(12)14;7-4(5(11)12)2-1-3-10-6(8)9;3-1-2(4)5/h1-7,16H,8-10H2,(H,20,25)(H,21,22)(H,23,24);4H,1-3,7H2,(H,11,12)(H4,8,9,10);1,3H2,(H,4,5).

What are the key properties of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid?

2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid has a molecular weight of 604.62 g/mol, XLogP of -0.11, 12 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid is sourced from PubChem (CID 175143885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).