acetic acid;1-aminopropan-2-ol

C5H13NO3 — CID 134814658

IUPACacetic acid;1-aminopropan-2-ol
SMILESCC(=O)O.CC(O)CN
InChIInChI=1S/C3H9NO.C2H4O2/c1-3(5)2-4;1-2(3)4/h3,5H,2,4H2,1H3;1H3,(H,3,4)
InChIKeyPXSKFKIKNKEATE-UHFFFAOYSA-N
MW135.16 g/mol
LogP-0.58
Rot. Bonds1

About acetic acid;1-aminopropan-2-ol

acetic acid;1-aminopropan-2-ol (PubChem CID 134814658) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is acetic acid;1-aminopropan-2-ol.

Molecular Properties

Compound Nameacetic acid;1-aminopropan-2-ol
PubChem CID134814658
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Nameacetic acid;1-aminopropan-2-ol
SMILESCC(=O)O.CC(O)CN
InChIInChI=1S/C3H9NO.C2H4O2/c1-3(5)2-4;1-2(3)4/h3,5H,2,4H2,1H3;1H3,(H,3,4)
InChIKeyPXSKFKIKNKEATE-UHFFFAOYSA-N
XLogP-0.58
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-aminopropan-2-ol?
The IUPAC name of acetic acid;1-aminopropan-2-ol (CID 134814658) is acetic acid;1-aminopropan-2-ol.
What is the SMILES notation for acetic acid;1-aminopropan-2-ol?
The canonical SMILES for acetic acid;1-aminopropan-2-ol is CC(=O)O.CC(O)CN.
What is the InChIKey of acetic acid;1-aminopropan-2-ol?
The InChIKey is PXSKFKIKNKEATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2H4O2/c1-3(5)2-4;1-2(3)4/h3,5H,2,4H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-aminopropan-2-ol?
acetic acid;1-aminopropan-2-ol has a molecular weight of 135.16 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-aminopropan-2-ol is sourced from PubChem (CID 134814658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).