[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid

C9H16N2O4 — CID 156534377

IUPAC[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(NC(=O)CO)CC1
InChIInChI=1S/C9H16N2O4/c12-5-8(13)10-6-1-3-7(4-2-6)11-9(14)15/h6-7,11-12H,1-5H2,(H,10,13)(H,14,15)
InChIKeyDGWWXQAPMKTBIT-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.33
Rot. Bonds3

About [4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid

[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid (PubChem CID 156534377) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is [4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid
PubChem CID156534377
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(NC(=O)CO)CC1
InChIInChI=1S/C9H16N2O4/c12-5-8(13)10-6-1-3-7(4-2-6)11-9(14)15/h6-7,11-12H,1-5H2,(H,10,13)(H,14,15)
InChIKeyDGWWXQAPMKTBIT-UHFFFAOYSA-N
XLogP-0.33
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid (CID 156534377) is [4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid is O=C(O)NC1CCC(NC(=O)CO)CC1.
What is the InChIKey of [4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid?
The InChIKey is DGWWXQAPMKTBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c12-5-8(13)10-6-1-3-7(4-2-6)11-9(14)15/h6-7,11-12H,1-5H2,(H,10,13)(H,14,15).
What are the key properties of [4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid?
[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid has a molecular weight of 216.24 g/mol, XLogP of -0.33, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 156534377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).