(1S)-1-aminopropan-1-ol

C3H9NO — CID 54097278

IUPAC(1S)-1-aminopropan-1-ol
SMILESCC[C@@H](N)O
InChIInChI=1S/C3H9NO/c1-2-3(4)5/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKeyMXZROAOUCUVNHX-VKHMYHEASA-N
MW75.11 g/mol
LogP-0.33
Rot. Bonds1

About (1S)-1-aminopropan-1-ol

(1S)-1-aminopropan-1-ol (PubChem CID 54097278) has the molecular formula C3H9NO and a molecular weight of 75.11 g/mol. Its IUPAC name is (1S)-1-aminopropan-1-ol.

Molecular Properties

Compound Name(1S)-1-aminopropan-1-ol
PubChem CID54097278
Molecular FormulaC3H9NO
Molecular Weight75.11 g/mol
Exact Mass75.07
IUPAC Name(1S)-1-aminopropan-1-ol
SMILESCC[C@@H](N)O
InChIInChI=1S/C3H9NO/c1-2-3(4)5/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKeyMXZROAOUCUVNHX-VKHMYHEASA-N
XLogP-0.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.11
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-aminopropan-1-ol?
The IUPAC name of (1S)-1-aminopropan-1-ol (CID 54097278) is (1S)-1-aminopropan-1-ol.
What is the SMILES notation for (1S)-1-aminopropan-1-ol?
The canonical SMILES for (1S)-1-aminopropan-1-ol is CC[C@@H](N)O.
What is the InChIKey of (1S)-1-aminopropan-1-ol?
The InChIKey is MXZROAOUCUVNHX-VKHMYHEASA-N. The full InChI is InChI=1S/C3H9NO/c1-2-3(4)5/h3,5H,2,4H2,1H3/t3-/m0/s1.
What are the key properties of (1S)-1-aminopropan-1-ol?
(1S)-1-aminopropan-1-ol has a molecular weight of 75.11 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-aminopropan-1-ol is sourced from PubChem (CID 54097278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).