1-(2-amino-3-hydroxybutyl)-3-ethylurea

C7H17N3O2 — CID 64541484

IUPAC1-(2-amino-3-hydroxybutyl)-3-ethylurea
SMILESCCNC(=O)NCC(N)C(C)O
InChIInChI=1S/C7H17N3O2/c1-3-9-7(12)10-4-6(8)5(2)11/h5-6,11H,3-4,8H2,1-2H3,(H2,9,10,12)
InChIKeyQGOSQQDRNNYAEG-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.99
Rot. Bonds4

About 1-(2-amino-3-hydroxybutyl)-3-ethylurea

1-(2-amino-3-hydroxybutyl)-3-ethylurea (PubChem CID 64541484) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(2-amino-3-hydroxybutyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2-amino-3-hydroxybutyl)-3-ethylurea
PubChem CID64541484
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name1-(2-amino-3-hydroxybutyl)-3-ethylurea
SMILESCCNC(=O)NCC(N)C(C)O
InChIInChI=1S/C7H17N3O2/c1-3-9-7(12)10-4-6(8)5(2)11/h5-6,11H,3-4,8H2,1-2H3,(H2,9,10,12)
InChIKeyQGOSQQDRNNYAEG-UHFFFAOYSA-N
XLogP-0.99
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-hydroxybutyl)-2-ethylbutanamide
CID 64541693
1-(3-amino-2-hydroxypropyl)-3-ethylurea
CID 131223085
N-(2-amino-3-hydroxybutyl)-3-methylpentanamide
CID 114875635
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride
CID 10093944
1,3-diethylurea;ethane
CID 142885504
1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
CID 103734264
2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate
CID 64541260
N-(2-amino-3-hydroxybutyl)-2-cyclopropylpropanamide
CID 83148940
1-ethyl-3-(3-methoxy-2-methylpropyl)urea
CID 115593972
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
N-(2-amino-3-hydroxybutyl)piperidine-1-carboxamide
CID 79154941

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-hydroxybutyl)-3-ethylurea?
The IUPAC name of 1-(2-amino-3-hydroxybutyl)-3-ethylurea (CID 64541484) is 1-(2-amino-3-hydroxybutyl)-3-ethylurea.
What is the SMILES notation for 1-(2-amino-3-hydroxybutyl)-3-ethylurea?
The canonical SMILES for 1-(2-amino-3-hydroxybutyl)-3-ethylurea is CCNC(=O)NCC(N)C(C)O.
What is the InChIKey of 1-(2-amino-3-hydroxybutyl)-3-ethylurea?
The InChIKey is QGOSQQDRNNYAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-3-9-7(12)10-4-6(8)5(2)11/h5-6,11H,3-4,8H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-(2-amino-3-hydroxybutyl)-3-ethylurea?
1-(2-amino-3-hydroxybutyl)-3-ethylurea has a molecular weight of 175.23 g/mol, XLogP of -0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-hydroxybutyl)-3-ethylurea is sourced from PubChem (CID 64541484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).