N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride

C14H24ClN3O4 — CID 53386944

IUPACN-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride
SMILESC[C@@H]1NC2(CCCCCCC2)C(=O)N(CC(=O)NO)C1=O.Cl
InChIInChI=1S/C14H23N3O4.ClH/c1-10-12(19)17(9-11(18)16-21)13(20)14(15-10)7-5-3-2-4-6-8-14;/h10,15,21H,2-9H2,1H3,(H,16,18);1H/t10-;/m0./s1
InChIKeyIJWHQVNNFNATAI-PPHPATTJSA-N
MW333.82 g/mol
LogP0.74
Rot. Bonds2

About N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride

N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride (PubChem CID 53386944) has the molecular formula C14H24ClN3O4 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride
PubChem CID53386944
Molecular FormulaC14H24ClN3O4
Molecular Weight333.82 g/mol
Exact Mass333.15
IUPAC NameN-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride
SMILESC[C@@H]1NC2(CCCCCCC2)C(=O)N(CC(=O)NO)C1=O.Cl
InChIInChI=1S/C14H23N3O4.ClH/c1-10-12(19)17(9-11(18)16-21)13(20)14(15-10)7-5-3-2-4-6-8-14;/h10,15,21H,2-9H2,1H3,(H,16,18);1H/t10-;/m0./s1
InChIKeyIJWHQVNNFNATAI-PPHPATTJSA-N
XLogP0.74
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride?
The IUPAC name of N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride (CID 53386944) is N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride is C[C@@H]1NC2(CCCCCCC2)C(=O)N(CC(=O)NO)C1=O.Cl.
What is the InChIKey of N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride?
The InChIKey is IJWHQVNNFNATAI-PPHPATTJSA-N. The full InChI is InChI=1S/C14H23N3O4.ClH/c1-10-12(19)17(9-11(18)16-21)13(20)14(15-10)7-5-3-2-4-6-8-14;/h10,15,21H,2-9H2,1H3,(H,16,18);1H/t10-;/m0./s1.
What are the key properties of N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride?
N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride has a molecular weight of 333.82 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2S)-2-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 53386944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).