3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide

C10H13N3O4 — CID 87750204

IUPAC3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide
SMILESNCC(NC(=O)/C=C/c1ccco1)C(=O)NO
InChIInChI=1S/C10H13N3O4/c11-6-8(10(15)13-16)12-9(14)4-3-7-2-1-5-17-7/h1-5,8,16H,6,11H2,(H,12,14)(H,13,15)/b4-3+
InChIKeyFDBBCSSYQMBTTL-ONEGZZNKSA-N
MW239.23 g/mol
LogP-0.76
Rot. Bonds5

About 3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide

3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide (PubChem CID 87750204) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide
PubChem CID87750204
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide
SMILESNCC(NC(=O)/C=C/c1ccco1)C(=O)NO
InChIInChI=1S/C10H13N3O4/c11-6-8(10(15)13-16)12-9(14)4-3-7-2-1-5-17-7/h1-5,8,16H,6,11H2,(H,12,14)(H,13,15)/b4-3+
InChIKeyFDBBCSSYQMBTTL-ONEGZZNKSA-N
XLogP-0.76
TPSA117.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 6188146
(2S)-2-[3-(furan-2-yl)prop-2-enoylamino]pentanedioate
CID 86740992
(2S)-2-[[(2S)-6-amino-2-[3-(furan-2-yl)prop-2-enoylamino]hexanoyl]amino]propanoic acid
CID 131849077
benzyl (2S)-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methylpentanoate
CID 78906118
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 43416620
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581820
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide?
The IUPAC name of 3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide (CID 87750204) is 3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide is NCC(NC(=O)/C=C/c1ccco1)C(=O)NO.
What is the InChIKey of 3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide?
The InChIKey is FDBBCSSYQMBTTL-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H13N3O4/c11-6-8(10(15)13-16)12-9(14)4-3-7-2-1-5-17-7/h1-5,8,16H,6,11H2,(H,12,14)(H,13,15)/b4-3+.
What are the key properties of 3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide?
3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide has a molecular weight of 239.23 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 87750204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).