2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide

C9H14N2O3 — CID 106170390

IUPAC2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
SMILESCc1ccc(CNCC(O)C(N)=O)o1
InChIInChI=1S/C9H14N2O3/c1-6-2-3-7(14-6)4-11-5-8(12)9(10)13/h2-3,8,11-12H,4-5H2,1H3,(H2,10,13)
InChIKeyYKUDLPKLMNWRMD-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.48
Rot. Bonds5

About 2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide

2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide (PubChem CID 106170390) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
PubChem CID106170390
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
SMILESCc1ccc(CNCC(O)C(N)=O)o1
InChIInChI=1S/C9H14N2O3/c1-6-2-3-7(14-6)4-11-5-8(12)9(10)13/h2-3,8,11-12H,4-5H2,1H3,(H2,10,13)
InChIKeyYKUDLPKLMNWRMD-UHFFFAOYSA-N
XLogP-0.48
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 106170960
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118617
1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 60761067
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine
CID 61044402
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 62524546
4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 62523205

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide (CID 106170390) is 2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide is Cc1ccc(CNCC(O)C(N)=O)o1.
What is the InChIKey of 2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide?
The InChIKey is YKUDLPKLMNWRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-2-3-7(14-6)4-11-5-8(12)9(10)13/h2-3,8,11-12H,4-5H2,1H3,(H2,10,13).
What are the key properties of 2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide?
2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide has a molecular weight of 198.22 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide is sourced from PubChem (CID 106170390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).