2-hydroxy-3-(propylamino)propanamide

C6H14N2O2 — CID 106170619

IUPAC2-hydroxy-3-(propylamino)propanamide
SMILESCCCNCC(O)C(N)=O
InChIInChI=1S/C6H14N2O2/c1-2-3-8-4-5(9)6(7)10/h5,8-9H,2-4H2,1H3,(H2,7,10)
InChIKeyRJNYTOTXHHSHOU-UHFFFAOYSA-N
MW146.19 g/mol
LogP-1.17
Rot. Bonds5

About 2-hydroxy-3-(propylamino)propanamide

2-hydroxy-3-(propylamino)propanamide (PubChem CID 106170619) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-hydroxy-3-(propylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(propylamino)propanamide
PubChem CID106170619
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-hydroxy-3-(propylamino)propanamide
SMILESCCCNCC(O)C(N)=O
InChIInChI=1S/C6H14N2O2/c1-2-3-8-4-5(9)6(7)10/h5,8-9H,2-4H2,1H3,(H2,7,10)
InChIKeyRJNYTOTXHHSHOU-UHFFFAOYSA-N
XLogP-1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(propylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(propylamino)propanamide (CID 106170619) is 2-hydroxy-3-(propylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(propylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(propylamino)propanamide is CCCNCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-(propylamino)propanamide?
The InChIKey is RJNYTOTXHHSHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-2-3-8-4-5(9)6(7)10/h5,8-9H,2-4H2,1H3,(H2,7,10).
What are the key properties of 2-hydroxy-3-(propylamino)propanamide?
2-hydroxy-3-(propylamino)propanamide has a molecular weight of 146.19 g/mol, XLogP of -1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(propylamino)propanamide is sourced from PubChem (CID 106170619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).