1,1-diaminourea;5-hydroxypentanoic acid

C6H16N4O4 — CID 174887048

IUPAC1,1-diaminourea;5-hydroxypentanoic acid
SMILESNC(=O)N(N)N.O=C(O)CCCCO
InChIInChI=1S/C5H10O3.CH6N4O/c6-4-2-1-3-5(7)8;2-1(6)5(3)4/h6H,1-4H2,(H,7,8);3-4H2,(H2,2,6)
InChIKeyYMNOKYQEYVOXIL-UHFFFAOYSA-N
MW208.22 g/mol
LogP-1.65
Rot. Bonds4

About 1,1-diaminourea;5-hydroxypentanoic acid

1,1-diaminourea;5-hydroxypentanoic acid (PubChem CID 174887048) has the molecular formula C6H16N4O4 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1,1-diaminourea;5-hydroxypentanoic acid.

Molecular Properties

Compound Name1,1-diaminourea;5-hydroxypentanoic acid
PubChem CID174887048
Molecular FormulaC6H16N4O4
Molecular Weight208.22 g/mol
Exact Mass208.12
IUPAC Name1,1-diaminourea;5-hydroxypentanoic acid
SMILESNC(=O)N(N)N.O=C(O)CCCCO
InChIInChI=1S/C5H10O3.CH6N4O/c6-4-2-1-3-5(7)8;2-1(6)5(3)4/h6H,1-4H2,(H,7,8);3-4H2,(H2,2,6)
InChIKeyYMNOKYQEYVOXIL-UHFFFAOYSA-N
XLogP-1.65
TPSA155.90 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-hydroxypentanoic acid
CID 25945
38-hydroxyoctatriacontanoic acid
CID 18981443
10-hydroxydecanoic acid
CID 138734563
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
12-hydroxydodecanoic acid;zinc
CID 88673734
lithium;hydride;5-hydroxypentanoic acid
CID 173343870
CID 162333795
CID 162333795
ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol
CID 174881937
4-hydroxybutanoic acid;iron
CID 175070991

Frequently Asked Questions

What is the IUPAC name of 1,1-diaminourea;5-hydroxypentanoic acid?
The IUPAC name of 1,1-diaminourea;5-hydroxypentanoic acid (CID 174887048) is 1,1-diaminourea;5-hydroxypentanoic acid.
What is the SMILES notation for 1,1-diaminourea;5-hydroxypentanoic acid?
The canonical SMILES for 1,1-diaminourea;5-hydroxypentanoic acid is NC(=O)N(N)N.O=C(O)CCCCO.
What is the InChIKey of 1,1-diaminourea;5-hydroxypentanoic acid?
The InChIKey is YMNOKYQEYVOXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.CH6N4O/c6-4-2-1-3-5(7)8;2-1(6)5(3)4/h6H,1-4H2,(H,7,8);3-4H2,(H2,2,6).
What are the key properties of 1,1-diaminourea;5-hydroxypentanoic acid?
1,1-diaminourea;5-hydroxypentanoic acid has a molecular weight of 208.22 g/mol, XLogP of -1.65, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diaminourea;5-hydroxypentanoic acid is sourced from PubChem (CID 174887048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).