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

C6H15N3O2 — CID 131223085

IUPAC1-(3-amino-2-hydroxypropyl)-3-ethylurea
SMILESCCNC(=O)NCC(O)CN
InChIInChI=1S/C6H15N3O2/c1-2-8-6(11)9-4-5(10)3-7/h5,10H,2-4,7H2,1H3,(H2,8,9,11)
InChIKeyTVUIJJDGXJOJKU-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.37
Rot. Bonds4

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

1-(3-amino-2-hydroxypropyl)-3-ethylurea (PubChem CID 131223085) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)-3-ethylurea
PubChem CID131223085
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name1-(3-amino-2-hydroxypropyl)-3-ethylurea
SMILESCCNC(=O)NCC(O)CN
InChIInChI=1S/C6H15N3O2/c1-2-8-6(11)9-4-5(10)3-7/h5,10H,2-4,7H2,1H3,(H2,8,9,11)
InChIKeyTVUIJJDGXJOJKU-UHFFFAOYSA-N
XLogP-1.37
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride
CID 10093944
N-(3-amino-2-hydroxypropyl)butanamide
CID 167081643
1-(2-amino-3-hydroxybutyl)-3-ethylurea
CID 64541484
1,3-diethylurea;ethane
CID 142885504
1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
CID 103734264
1-amino-3-(ethylamino)propan-2-ol
CID 20604769
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
N-(3-amino-2-hydroxypropyl)prop-2-enamide
CID 130759182
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
1-[(2S)-2-hydroxybutyl]-3-methoxyurea
CID 131222711
1-ethyl-3-(3-methoxy-2-methylpropyl)urea
CID 115593972
N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide
CID 118288450

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxypropyl)-3-ethylurea?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)-3-ethylurea (CID 131223085) is 1-(3-amino-2-hydroxypropyl)-3-ethylurea.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)-3-ethylurea?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)-3-ethylurea is CCNC(=O)NCC(O)CN.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)-3-ethylurea?
The InChIKey is TVUIJJDGXJOJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-2-8-6(11)9-4-5(10)3-7/h5,10H,2-4,7H2,1H3,(H2,8,9,11).
What are the key properties of 1-(3-amino-2-hydroxypropyl)-3-ethylurea?
1-(3-amino-2-hydroxypropyl)-3-ethylurea has a molecular weight of 161.20 g/mol, XLogP of -1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxypropyl)-3-ethylurea is sourced from PubChem (CID 131223085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).