[(2S)-2,3-dihydroxypropyl]urea

C4H10N2O3 — CID 88558799

IUPAC[(2S)-2,3-dihydroxypropyl]urea
SMILESNC(=O)NC[C@H](O)CO
InChIInChI=1S/C4H10N2O3/c5-4(9)6-1-3(8)2-7/h3,7-8H,1-2H2,(H3,5,6,9)/t3-/m0/s1
InChIKeyIWJFGRNIFIABLP-VKHMYHEASA-N
MW134.14 g/mol
LogP-1.99
Rot. Bonds3

About [(2S)-2,3-dihydroxypropyl]urea

[(2S)-2,3-dihydroxypropyl]urea (PubChem CID 88558799) has the molecular formula C4H10N2O3 and a molecular weight of 134.14 g/mol. Its IUPAC name is [(2S)-2,3-dihydroxypropyl]urea.

Molecular Properties

Compound Name[(2S)-2,3-dihydroxypropyl]urea
PubChem CID88558799
Molecular FormulaC4H10N2O3
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Name[(2S)-2,3-dihydroxypropyl]urea
SMILESNC(=O)NC[C@H](O)CO
InChIInChI=1S/C4H10N2O3/c5-4(9)6-1-3(8)2-7/h3,7-8H,1-2H2,(H3,5,6,9)/t3-/m0/s1
InChIKeyIWJFGRNIFIABLP-VKHMYHEASA-N
XLogP-1.99
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydroxypropyl]urea?
The IUPAC name of [(2S)-2,3-dihydroxypropyl]urea (CID 88558799) is [(2S)-2,3-dihydroxypropyl]urea.
What is the SMILES notation for [(2S)-2,3-dihydroxypropyl]urea?
The canonical SMILES for [(2S)-2,3-dihydroxypropyl]urea is NC(=O)NC[C@H](O)CO.
What is the InChIKey of [(2S)-2,3-dihydroxypropyl]urea?
The InChIKey is IWJFGRNIFIABLP-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10N2O3/c5-4(9)6-1-3(8)2-7/h3,7-8H,1-2H2,(H3,5,6,9)/t3-/m0/s1.
What are the key properties of [(2S)-2,3-dihydroxypropyl]urea?
[(2S)-2,3-dihydroxypropyl]urea has a molecular weight of 134.14 g/mol, XLogP of -1.99, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydroxypropyl]urea is sourced from PubChem (CID 88558799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).