1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea

C6H13N3O4 — CID 139981079

IUPAC1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea
SMILESNC(=O)N(CO)NC(=O)CCCO
InChIInChI=1S/C6H13N3O4/c7-6(13)9(4-11)8-5(12)2-1-3-10/h10-11H,1-4H2,(H2,7,13)(H,8,12)
InChIKeyIHZQJVANBIJPSN-UHFFFAOYSA-N
MW191.19 g/mol
LogP-1.88
Rot. Bonds4

About 1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea

1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea (PubChem CID 139981079) has the molecular formula C6H13N3O4 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea
PubChem CID139981079
Molecular FormulaC6H13N3O4
Molecular Weight191.19 g/mol
Exact Mass191.09
IUPAC Name1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea
SMILESNC(=O)N(CO)NC(=O)CCCO
InChIInChI=1S/C6H13N3O4/c7-6(13)9(4-11)8-5(12)2-1-3-10/h10-11H,1-4H2,(H2,7,13)(H,8,12)
InChIKeyIHZQJVANBIJPSN-UHFFFAOYSA-N
XLogP-1.88
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-ethoxy-4-hydroxybutanamide
CID 79191598
12-hydroxydodecanehydrazide
CID 12718243
(2R)-2-(4-hydroxybutanoylamino)butanamide
CID 167531373
N-tert-butyl-4-hydroxybutanamide
CID 11829724
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
4-(4-hydroxybutanoylamino)benzamide
CID 79203349
4-hydroxy-N-prop-2-enylbutanamide
CID 55286226
1,1-diaminourea;5-hydroxypentanoic acid
CID 174887048
N,16-dihydroxyhexadecanamide
CID 87686064
6-hydroxyhexanamide
CID 11815390

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea?
The IUPAC name of 1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea (CID 139981079) is 1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea.
What is the SMILES notation for 1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea?
The canonical SMILES for 1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea is NC(=O)N(CO)NC(=O)CCCO.
What is the InChIKey of 1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea?
The InChIKey is IHZQJVANBIJPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O4/c7-6(13)9(4-11)8-5(12)2-1-3-10/h10-11H,1-4H2,(H2,7,13)(H,8,12).
What are the key properties of 1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea?
1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea has a molecular weight of 191.19 g/mol, XLogP of -1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutanoylamino)-1-(hydroxymethyl)urea is sourced from PubChem (CID 139981079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).