1-[[hydroxy(methoxy)methyl]amino]propan-2-one

C5H11NO3 — CID 121420164

IUPAC1-[[hydroxy(methoxy)methyl]amino]propan-2-one
SMILESCOC(O)NCC(C)=O
InChIInChI=1S/C5H11NO3/c1-4(7)3-6-5(8)9-2/h5-6,8H,3H2,1-2H3
InChIKeyKWTQFOLANJKHCG-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.91
Rot. Bonds4

About 1-[[hydroxy(methoxy)methyl]amino]propan-2-one

1-[[hydroxy(methoxy)methyl]amino]propan-2-one (PubChem CID 121420164) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-[[hydroxy(methoxy)methyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[hydroxy(methoxy)methyl]amino]propan-2-one
PubChem CID121420164
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name1-[[hydroxy(methoxy)methyl]amino]propan-2-one
SMILESCOC(O)NCC(C)=O
InChIInChI=1S/C5H11NO3/c1-4(7)3-6-5(8)9-2/h5-6,8H,3H2,1-2H3
InChIKeyKWTQFOLANJKHCG-UHFFFAOYSA-N
XLogP-0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxopropylamino)hexane-2,5-dione
CID 139449466
1-[2-(2-oxopropyl)hydrazinyl]propan-2-one
CID 122579166
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
CID 54452734
ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate
CID 71325705
alumane;methyl 3-oxobutanoate;bis(propan-2-ol)
CID 174389281
1,3-bis(2-hydroxy-2-methoxyethyl)urea
CID 57276447
ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide
CID 23499498
1-(2-hydroxypropoxymethylamino)propan-2-one
CID 142147203
6-[[hydroxy(methoxy)methyl]amino]hexyl formate
CID 157143891
pentane-2,4-dione;propan-2-one;ruthenium
CID 175213221
(4R)-4-methoxypentan-2-one
CID 10749159
bis(pentane-2,4-dione);propan-2-ol;titanium
CID 175367620

Frequently Asked Questions

What is the IUPAC name of 1-[[hydroxy(methoxy)methyl]amino]propan-2-one?
The IUPAC name of 1-[[hydroxy(methoxy)methyl]amino]propan-2-one (CID 121420164) is 1-[[hydroxy(methoxy)methyl]amino]propan-2-one.
What is the SMILES notation for 1-[[hydroxy(methoxy)methyl]amino]propan-2-one?
The canonical SMILES for 1-[[hydroxy(methoxy)methyl]amino]propan-2-one is COC(O)NCC(C)=O.
What is the InChIKey of 1-[[hydroxy(methoxy)methyl]amino]propan-2-one?
The InChIKey is KWTQFOLANJKHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(7)3-6-5(8)9-2/h5-6,8H,3H2,1-2H3.
What are the key properties of 1-[[hydroxy(methoxy)methyl]amino]propan-2-one?
1-[[hydroxy(methoxy)methyl]amino]propan-2-one has a molecular weight of 133.15 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[hydroxy(methoxy)methyl]amino]propan-2-one is sourced from PubChem (CID 121420164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).