N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide

C15H18N2O3 — CID 141292883

IUPACN-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)C1=C2C=CC=C2C=C1)C(=O)NO
InChIInChI=1S/C15H18N2O3/c1-15(2,3)12(14(19)17-20)16-13(18)11-8-7-9-5-4-6-10(9)11/h4-8,12,20H,1-3H3,(H,16,18)(H,17,19)/t12-/m1/s1
InChIKeyUCJDJTAKUWPSTF-GFCCVEGCSA-N
MW274.32 g/mol
LogP1.39
Rot. Bonds3

About N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide

N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide (PubChem CID 141292883) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide
PubChem CID141292883
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)C1=C2C=CC=C2C=C1)C(=O)NO
InChIInChI=1S/C15H18N2O3/c1-15(2,3)12(14(19)17-20)16-13(18)11-8-7-9-5-4-6-10(9)11/h4-8,12,20H,1-3H3,(H,16,18)(H,17,19)/t12-/m1/s1
InChIKeyUCJDJTAKUWPSTF-GFCCVEGCSA-N
XLogP1.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

CID 159358761
CID 159358761
CID 141292850
CID 141292850
CID 141292985
CID 141292985
CID 141292995
CID 141292995
CID 141293089
CID 141293089
CID 154461831
CID 154461831
CID 157125300
CID 157125300
CID 158337034
CID 158337034
CID 158965624
CID 158965624
CID 159061926
CID 159061926
CID 159621945
CID 159621945
CID 159761970
CID 159761970

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide?
The IUPAC name of N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide (CID 141292883) is N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide is CC(C)(C)[C@H](NC(=O)C1=C2C=CC=C2C=C1)C(=O)NO.
What is the InChIKey of N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide?
The InChIKey is UCJDJTAKUWPSTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,3)12(14(19)17-20)16-13(18)11-8-7-9-5-4-6-10(9)11/h4-8,12,20H,1-3H3,(H,16,18)(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide?
N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide is sourced from PubChem (CID 141292883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).