(1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid

C5H11NO4 — CID 54518237

IUPAC(1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid
SMILESCC(CO)(CO)NC(=O)O
InChIInChI=1S/C5H11NO4/c1-5(2-7,3-8)6-4(9)10/h6-8H,2-3H2,1H3,(H,9,10)
InChIKeyYNXLBCWYAAPNQK-UHFFFAOYSA-N
MW149.15 g/mol
LogP-1.00
Rot. Bonds3

About (1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid

(1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid (PubChem CID 54518237) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid
PubChem CID54518237
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid
SMILESCC(CO)(CO)NC(=O)O
InChIInChI=1S/C5H11NO4/c1-5(2-7,3-8)6-4(9)10/h6-8H,2-3H2,1H3,(H,9,10)
InChIKeyYNXLBCWYAAPNQK-UHFFFAOYSA-N
XLogP-1.00
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid?
The IUPAC name of (1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid (CID 54518237) is (1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid.
What is the SMILES notation for (1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid?
The canonical SMILES for (1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid is CC(CO)(CO)NC(=O)O.
What is the InChIKey of (1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid?
The InChIKey is YNXLBCWYAAPNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c1-5(2-7,3-8)6-4(9)10/h6-8H,2-3H2,1H3,(H,9,10).
What are the key properties of (1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid?
(1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid has a molecular weight of 149.15 g/mol, XLogP of -1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dihydroxy-2-methylpropan-2-yl)carbamic acid is sourced from PubChem (CID 54518237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).