2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid

C13H28N6O6 — CID 18783690

IUPAC2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid
SMILESNC(N)=NCCCC(N)C(=O)O.NCC(=O)O.O=C(O)C1CCCN1
InChIInChI=1S/C6H14N4O2.C5H9NO2.C2H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5)
InChIKeySQJQIAXXTBPHBR-UHFFFAOYSA-N
MW364.40 g/mol
LogP-2.70
Rot. Bonds7

About 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid

2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid (PubChem CID 18783690) has the molecular formula C13H28N6O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid
PubChem CID18783690
Molecular FormulaC13H28N6O6
Molecular Weight364.40 g/mol
Exact Mass364.21
IUPAC Name2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid
SMILESNC(N)=NCCCC(N)C(=O)O.NCC(=O)O.O=C(O)C1CCCN1
InChIInChI=1S/C6H14N4O2.C5H9NO2.C2H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5)
InChIKeySQJQIAXXTBPHBR-UHFFFAOYSA-N
XLogP-2.70
TPSA240.37 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 5-2.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid (CID 18783690) is 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid is NC(N)=NCCCC(N)C(=O)O.NCC(=O)O.O=C(O)C1CCCN1.
What is the InChIKey of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid?
The InChIKey is SQJQIAXXTBPHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C5H9NO2.C2H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid?
2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of -2.70, 7 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18783690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).