1,3-bis(2,3-dihydroxypropyl)urea

C7H16N2O5 — CID 71428979

IUPAC1,3-bis(2,3-dihydroxypropyl)urea
SMILESO=C(NCC(O)CO)NCC(O)CO
InChIInChI=1S/C7H16N2O5/c10-3-5(12)1-8-7(14)9-2-6(13)4-11/h5-6,10-13H,1-4H2,(H2,8,9,14)
InChIKeyXXRSBPNOKSLPGL-UHFFFAOYSA-N
MW208.21 g/mol
LogP-3.01
Rot. Bonds6

About 1,3-bis(2,3-dihydroxypropyl)urea

1,3-bis(2,3-dihydroxypropyl)urea (PubChem CID 71428979) has the molecular formula C7H16N2O5 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1,3-bis(2,3-dihydroxypropyl)urea.

Molecular Properties

Compound Name1,3-bis(2,3-dihydroxypropyl)urea
PubChem CID71428979
Molecular FormulaC7H16N2O5
Molecular Weight208.21 g/mol
Exact Mass208.11
IUPAC Name1,3-bis(2,3-dihydroxypropyl)urea
SMILESO=C(NCC(O)CO)NCC(O)CO
InChIInChI=1S/C7H16N2O5/c10-3-5(12)1-8-7(14)9-2-6(13)4-11/h5-6,10-13H,1-4H2,(H2,8,9,14)
InChIKeyXXRSBPNOKSLPGL-UHFFFAOYSA-N
XLogP-3.01
TPSA122.05 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.21
LogP ≤ 5-3.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,3-dihydroxypropyl)urea?
The IUPAC name of 1,3-bis(2,3-dihydroxypropyl)urea (CID 71428979) is 1,3-bis(2,3-dihydroxypropyl)urea.
What is the SMILES notation for 1,3-bis(2,3-dihydroxypropyl)urea?
The canonical SMILES for 1,3-bis(2,3-dihydroxypropyl)urea is O=C(NCC(O)CO)NCC(O)CO.
What is the InChIKey of 1,3-bis(2,3-dihydroxypropyl)urea?
The InChIKey is XXRSBPNOKSLPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5/c10-3-5(12)1-8-7(14)9-2-6(13)4-11/h5-6,10-13H,1-4H2,(H2,8,9,14).
What are the key properties of 1,3-bis(2,3-dihydroxypropyl)urea?
1,3-bis(2,3-dihydroxypropyl)urea has a molecular weight of 208.21 g/mol, XLogP of -3.01, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,3-dihydroxypropyl)urea is sourced from PubChem (CID 71428979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).