(E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide

C19H25N5O3 — CID 137225105

IUPAC(E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1cn([C@H]2C[C@H](CO)N(CCCc3ccccc3)C2)nn1)NO
InChIInChI=1S/C19H25N5O3/c25-14-18-11-17(24-12-16(20-22-24)8-9-19(26)21-27)13-23(18)10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,17-18,25,27H,4,7,10-11,13-14H2,(H,21,26)/b9-8+/t17-,18+/m0/s1
InChIKeyGRQQRUSTYHTSNU-CWDJHMJFSA-N
MW371.44 g/mol
LogP1.04
Rot. Bonds8

About (E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide (PubChem CID 137225105) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide
PubChem CID137225105
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1cn([C@H]2C[C@H](CO)N(CCCc3ccccc3)C2)nn1)NO
InChIInChI=1S/C19H25N5O3/c25-14-18-11-17(24-12-16(20-22-24)8-9-19(26)21-27)13-23(18)10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,17-18,25,27H,4,7,10-11,13-14H2,(H,21,26)/b9-8+/t17-,18+/m0/s1
InChIKeyGRQQRUSTYHTSNU-CWDJHMJFSA-N
XLogP1.04
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide (CID 137225105) is (E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide is O=C(/C=C/c1cn([C@H]2C[C@H](CO)N(CCCc3ccccc3)C2)nn1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide?
The InChIKey is GRQQRUSTYHTSNU-CWDJHMJFSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-14-18-11-17(24-12-16(20-22-24)8-9-19(26)21-27)13-23(18)10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,17-18,25,27H,4,7,10-11,13-14H2,(H,21,26)/b9-8+/t17-,18+/m0/s1.
What are the key properties of (E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide has a molecular weight of 371.44 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-[(3S,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]triazol-4-yl]prop-2-enamide is sourced from PubChem (CID 137225105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).