[1-(carbamoylamino)-2-hydroxypropan-2-yl]urea

C5H12N4O3 — CID 87226252

IUPAC[1-(carbamoylamino)-2-hydroxypropan-2-yl]urea
SMILESCC(O)(CNC(N)=O)NC(N)=O
InChIInChI=1S/C5H12N4O3/c1-5(12,9-4(7)11)2-8-3(6)10/h12H,2H2,1H3,(H3,6,8,10)(H3,7,9,11)
InChIKeyGZXSRDPADPXOKF-UHFFFAOYSA-N
MW176.18 g/mol
LogP-1.97
Rot. Bonds3

About [1-(carbamoylamino)-2-hydroxypropan-2-yl]urea

[1-(carbamoylamino)-2-hydroxypropan-2-yl]urea (PubChem CID 87226252) has the molecular formula C5H12N4O3 and a molecular weight of 176.18 g/mol. Its IUPAC name is [1-(carbamoylamino)-2-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name[1-(carbamoylamino)-2-hydroxypropan-2-yl]urea
PubChem CID87226252
Molecular FormulaC5H12N4O3
Molecular Weight176.18 g/mol
Exact Mass176.09
IUPAC Name[1-(carbamoylamino)-2-hydroxypropan-2-yl]urea
SMILESCC(O)(CNC(N)=O)NC(N)=O
InChIInChI=1S/C5H12N4O3/c1-5(12,9-4(7)11)2-8-3(6)10/h12H,2H2,1H3,(H3,6,8,10)(H3,7,9,11)
InChIKeyGZXSRDPADPXOKF-UHFFFAOYSA-N
XLogP-1.97
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-1.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-2-hydroxypropan-2-yl]urea?
The IUPAC name of [1-(carbamoylamino)-2-hydroxypropan-2-yl]urea (CID 87226252) is [1-(carbamoylamino)-2-hydroxypropan-2-yl]urea.
What is the SMILES notation for [1-(carbamoylamino)-2-hydroxypropan-2-yl]urea?
The canonical SMILES for [1-(carbamoylamino)-2-hydroxypropan-2-yl]urea is CC(O)(CNC(N)=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-2-hydroxypropan-2-yl]urea?
The InChIKey is GZXSRDPADPXOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O3/c1-5(12,9-4(7)11)2-8-3(6)10/h12H,2H2,1H3,(H3,6,8,10)(H3,7,9,11).
What are the key properties of [1-(carbamoylamino)-2-hydroxypropan-2-yl]urea?
[1-(carbamoylamino)-2-hydroxypropan-2-yl]urea has a molecular weight of 176.18 g/mol, XLogP of -1.97, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-2-hydroxypropan-2-yl]urea is sourced from PubChem (CID 87226252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).