[3-(2,3-dihydroxypropylamino)phenyl]urea

C10H15N3O3 — CID 23202913

IUPAC[3-(2,3-dihydroxypropylamino)phenyl]urea
SMILESNC(=O)Nc1cccc(NCC(O)CO)c1
InChIInChI=1S/C10H15N3O3/c11-10(16)13-8-3-1-2-7(4-8)12-5-9(15)6-14/h1-4,9,12,14-15H,5-6H2,(H3,11,13,16)
InChIKeyKINGVUFBMREKSI-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.06
Rot. Bonds5

About [3-(2,3-dihydroxypropylamino)phenyl]urea

[3-(2,3-dihydroxypropylamino)phenyl]urea (PubChem CID 23202913) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is [3-(2,3-dihydroxypropylamino)phenyl]urea.

Molecular Properties

Compound Name[3-(2,3-dihydroxypropylamino)phenyl]urea
PubChem CID23202913
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name[3-(2,3-dihydroxypropylamino)phenyl]urea
SMILESNC(=O)Nc1cccc(NCC(O)CO)c1
InChIInChI=1S/C10H15N3O3/c11-10(16)13-8-3-1-2-7(4-8)12-5-9(15)6-14/h1-4,9,12,14-15H,5-6H2,(H3,11,13,16)
InChIKeyKINGVUFBMREKSI-UHFFFAOYSA-N
XLogP-0.06
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168597581
N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide
CID 168593137
3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide
CID 86661514
3-(3-methylanilino)propane-1,2-diol
CID 3016394
[3-(3-methylbutylamino)phenyl]urea
CID 43744542
N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
[3-(prop-2-ynylamino)phenyl]urea
CID 63951484
[3-(1-hydroxypropan-2-yl)phenyl]urea
CID 117284641
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546
3-(3-methylsulfanylanilino)propane-1,2-diol
CID 76891537
N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide
CID 168594455
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroxypropylamino)phenyl]urea?
The IUPAC name of [3-(2,3-dihydroxypropylamino)phenyl]urea (CID 23202913) is [3-(2,3-dihydroxypropylamino)phenyl]urea.
What is the SMILES notation for [3-(2,3-dihydroxypropylamino)phenyl]urea?
The canonical SMILES for [3-(2,3-dihydroxypropylamino)phenyl]urea is NC(=O)Nc1cccc(NCC(O)CO)c1.
What is the InChIKey of [3-(2,3-dihydroxypropylamino)phenyl]urea?
The InChIKey is KINGVUFBMREKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-10(16)13-8-3-1-2-7(4-8)12-5-9(15)6-14/h1-4,9,12,14-15H,5-6H2,(H3,11,13,16).
What are the key properties of [3-(2,3-dihydroxypropylamino)phenyl]urea?
[3-(2,3-dihydroxypropylamino)phenyl]urea has a molecular weight of 225.25 g/mol, XLogP of -0.06, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroxypropylamino)phenyl]urea is sourced from PubChem (CID 23202913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).