2-(3-hydroxypropylamino)propanamide

C6H14N2O2 — CID 43392787

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

About 2-(3-hydroxypropylamino)propanamide

2-(3-hydroxypropylamino)propanamide (PubChem CID 43392787) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)propanamide.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)propanamide
PubChem CID43392787
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-(3-hydroxypropylamino)propanamide
SMILESCC(NCCCO)C(N)=O
InChIInChI=1S/C6H14N2O2/c1-5(6(7)10)8-3-2-4-9/h5,8-9H,2-4H2,1H3,(H2,7,10)
InChIKeyHCDDUTQKTDOREV-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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Related Compounds

(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
2-(3-fluoropropylamino)propanamide
CID 81105726
2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237
2-(propylamino)propanamide
CID 43086178
2-(2-aminoethylamino)propanamide
CID 20551229
(2S)-2-(propylamino)propanamide
CID 28835957
2-(4,4,4-trifluorobutylamino)propanamide
CID 115513545
2-(3-methylbutylamino)propanamide
CID 43086017
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-(2-methylsulfanylethylamino)propanamide
CID 60672708

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)propanamide?
The IUPAC name of 2-(3-hydroxypropylamino)propanamide (CID 43392787) is 2-(3-hydroxypropylamino)propanamide.
What is the SMILES notation for 2-(3-hydroxypropylamino)propanamide?
The canonical SMILES for 2-(3-hydroxypropylamino)propanamide is CC(NCCCO)C(N)=O.
What is the InChIKey of 2-(3-hydroxypropylamino)propanamide?
The InChIKey is HCDDUTQKTDOREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-5(6(7)10)8-3-2-4-9/h5,8-9H,2-4H2,1H3,(H2,7,10).
What are the key properties of 2-(3-hydroxypropylamino)propanamide?
2-(3-hydroxypropylamino)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-(3-hydroxypropylamino)propanamide is sourced from PubChem (CID 43392787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).