1-aminopropan-2-ol;2-hydroxypropylcarbamic acid

C7H18N2O4 — CID 139597314

IUPAC1-aminopropan-2-ol;2-hydroxypropylcarbamic acid
SMILESCC(O)CN.CC(O)CNC(=O)O
InChIInChI=1S/C4H9NO3.C3H9NO/c1-3(6)2-5-4(7)8;1-3(5)2-4/h3,5-6H,2H2,1H3,(H,7,8);3,5H,2,4H2,1H3
InChIKeyULOVAXRVKGOGNF-UHFFFAOYSA-N
MW194.23 g/mol
LogP-1.04
Rot. Bonds3

About 1-aminopropan-2-ol;2-hydroxypropylcarbamic acid

1-aminopropan-2-ol;2-hydroxypropylcarbamic acid (PubChem CID 139597314) has the molecular formula C7H18N2O4 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-aminopropan-2-ol;2-hydroxypropylcarbamic acid.

Molecular Properties

Compound Name1-aminopropan-2-ol;2-hydroxypropylcarbamic acid
PubChem CID139597314
Molecular FormulaC7H18N2O4
Molecular Weight194.23 g/mol
Exact Mass194.13
IUPAC Name1-aminopropan-2-ol;2-hydroxypropylcarbamic acid
SMILESCC(O)CN.CC(O)CNC(=O)O
InChIInChI=1S/C4H9NO3.C3H9NO/c1-3(6)2-5-4(7)8;1-3(5)2-4/h3,5-6H,2H2,1H3,(H,7,8);3,5H,2,4H2,1H3
InChIKeyULOVAXRVKGOGNF-UHFFFAOYSA-N
XLogP-1.04
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;2-hydroxypropylcarbamic acid?
The IUPAC name of 1-aminopropan-2-ol;2-hydroxypropylcarbamic acid (CID 139597314) is 1-aminopropan-2-ol;2-hydroxypropylcarbamic acid.
What is the SMILES notation for 1-aminopropan-2-ol;2-hydroxypropylcarbamic acid?
The canonical SMILES for 1-aminopropan-2-ol;2-hydroxypropylcarbamic acid is CC(O)CN.CC(O)CNC(=O)O.
What is the InChIKey of 1-aminopropan-2-ol;2-hydroxypropylcarbamic acid?
The InChIKey is ULOVAXRVKGOGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C3H9NO/c1-3(6)2-5-4(7)8;1-3(5)2-4/h3,5-6H,2H2,1H3,(H,7,8);3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;2-hydroxypropylcarbamic acid?
1-aminopropan-2-ol;2-hydroxypropylcarbamic acid has a molecular weight of 194.23 g/mol, XLogP of -1.04, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;2-hydroxypropylcarbamic acid is sourced from PubChem (CID 139597314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).