1-(2-hydroxy-2-methylpropyl)-3-methoxyurea

C6H14N2O3 — CID 130650231

IUPAC1-(2-hydroxy-2-methylpropyl)-3-methoxyurea
SMILESCONC(=O)NCC(C)(C)O
InChIInChI=1S/C6H14N2O3/c1-6(2,10)4-7-5(9)8-11-3/h10H,4H2,1-3H3,(H2,7,8,9)
InChIKeySJOLZNLPKFGZNS-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.38
Rot. Bonds3

About 1-(2-hydroxy-2-methylpropyl)-3-methoxyurea

1-(2-hydroxy-2-methylpropyl)-3-methoxyurea (PubChem CID 130650231) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3-methoxyurea
PubChem CID130650231
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3-methoxyurea
SMILESCONC(=O)NCC(C)(C)O
InChIInChI=1S/C6H14N2O3/c1-6(2,10)4-7-5(9)8-11-3/h10H,4H2,1-3H3,(H2,7,8,9)
InChIKeySJOLZNLPKFGZNS-UHFFFAOYSA-N
XLogP-0.38
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxypropanamide
CID 81101223
ethane;N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 145182364
2-chloro-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65105534
azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate
CID 126580724
1-[(2S)-2-hydroxybutyl]-3-methoxyurea
CID 131222711
1-(2-cyanoethyl)-3-methoxyurea
CID 130650869
1-methoxy-3-(2-methylsulfinylethyl)urea
CID 131206804
(2R)-2-hydroxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 131159624
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
CID 66337597
2-amino-N-(2-hydroxy-2-methylpropyl)-2-methylpentanamide
CID 65107360
N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide
CID 65109943

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-methoxyurea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-methoxyurea (CID 130650231) is 1-(2-hydroxy-2-methylpropyl)-3-methoxyurea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3-methoxyurea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3-methoxyurea is CONC(=O)NCC(C)(C)O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3-methoxyurea?
The InChIKey is SJOLZNLPKFGZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-6(2,10)4-7-5(9)8-11-3/h10H,4H2,1-3H3,(H2,7,8,9).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3-methoxyurea?
1-(2-hydroxy-2-methylpropyl)-3-methoxyurea has a molecular weight of 162.19 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3-methoxyurea is sourced from PubChem (CID 130650231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).