5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide

C9H14N2O3 — CID 88903392

IUPAC5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide
SMILESCCC[C@H](N)c1ccc(C(=O)NO)o1
InChIInChI=1S/C9H14N2O3/c1-2-3-6(10)7-4-5-8(14-7)9(12)11-13/h4-6,13H,2-3,10H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyHPVIMKVVSGYALG-LURJTMIESA-N
MW198.22 g/mol
LogP1.20
Rot. Bonds4

About 5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide

5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide (PubChem CID 88903392) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide
PubChem CID88903392
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide
SMILESCCC[C@H](N)c1ccc(C(=O)NO)o1
InChIInChI=1S/C9H14N2O3/c1-2-3-6(10)7-4-5-8(14-7)9(12)11-13/h4-6,13H,2-3,10H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyHPVIMKVVSGYALG-LURJTMIESA-N
XLogP1.20
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(1-aminobutyl)furan-2-carboxylic acid
CID 55292890
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide
CID 58418310
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
CID 171200029
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate
CID 72983472
(1R)-1-(5-bromofuran-2-yl)pentan-1-amine
CID 146012743
N-hydroxy-5-[(propan-2-ylamino)methyl]-1-benzofuran-2-carboxamide
CID 11425166
N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
CID 82984622
[4-(1-aminobutyl)phenyl]methanol
CID 55282733
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 107564357

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide?
The IUPAC name of 5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide (CID 88903392) is 5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide.
What is the SMILES notation for 5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide?
The canonical SMILES for 5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide is CCC[C@H](N)c1ccc(C(=O)NO)o1.
What is the InChIKey of 5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide?
The InChIKey is HPVIMKVVSGYALG-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-3-6(10)7-4-5-8(14-7)9(12)11-13/h4-6,13H,2-3,10H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of 5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide?
5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide has a molecular weight of 198.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide is sourced from PubChem (CID 88903392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).