2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid

C10H17N5O4 — CID 123327663

IUPAC2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCCC(C(=O)O)n1c(O)cc(N)c1O
InChIInChI=1S/C10H17N5O4/c11-5-4-7(16)15(8(5)17)6(9(18)19)2-1-3-14-10(12)13/h4,6,16-17H,1-3,11H2,(H,18,19)(H4,12,13,14)
InChIKeyFIQWBZJUTMVXAM-UHFFFAOYSA-N
MW271.28 g/mol
LogP-0.84
Rot. Bonds6

About 2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid

2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 123327663) has the molecular formula C10H17N5O4 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid
PubChem CID123327663
Molecular FormulaC10H17N5O4
Molecular Weight271.28 g/mol
Exact Mass271.13
IUPAC Name2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCCC(C(=O)O)n1c(O)cc(N)c1O
InChIInChI=1S/C10H17N5O4/c11-5-4-7(16)15(8(5)17)6(9(18)19)2-1-3-14-10(12)13/h4,6,16-17H,1-3,11H2,(H,18,19)(H4,12,13,14)
InChIKeyFIQWBZJUTMVXAM-UHFFFAOYSA-N
XLogP-0.84
TPSA173.11 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of 2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid (CID 123327663) is 2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for 2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for 2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid is NC(N)=NCCCC(C(=O)O)n1c(O)cc(N)c1O.
What is the InChIKey of 2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is FIQWBZJUTMVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4/c11-5-4-7(16)15(8(5)17)6(9(18)19)2-1-3-14-10(12)13/h4,6,16-17H,1-3,11H2,(H,18,19)(H4,12,13,14).
What are the key properties of 2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid?
2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 271.28 g/mol, XLogP of -0.84, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,5-dihydroxypyrrol-1-yl)-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 123327663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).